Phenolphthalein

Details

• Internal ID: 1cb4c8dd-46e7-4c30-ad1e-8bdfc72a1db2
• Taxonomy: Organoheterocyclic compounds > Benzofurans > Benzofuranones
• IUPAC Name: 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one
• SMILES (Canonical): C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O
• SMILES (Isomeric): C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O
• InChI: InChI=1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H
• InChI Key: KJFMBFZCATUALV-UHFFFAOYSA-N
• Popularity: 16,570 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₁₄O₄
• Molecular Weight: 318.30 g/mol
• Exact Mass: 318.08920892 g/mol
• Topological Polar Surface Area (TPSA): 66.80 Ų
• XlogP: 3.60

Synonyms

• 77-09-8
• Phthalimetten
• Euchessina
• Phthalin
• Espotabs
• Phenolax
• Purgophen
• Koprol
• Laxogen
• Trilax
• Purga
• Spulmako-lax
• Purgen
• Medilax
• Colax
• Laxin
• FemiLax
• Dihydroxyphthalophenone
• 3,3-Bis(4-hydroxyphenyl)phthalide
• 3,3-Bis(4-hydroxyphenyl)-1(3H)-isobenzofuranone
• Fenolftalein
• Phenolphtaleine
• Alophen
• 3,3-Bis(p-hydroxyphenyl)phthalide
• Phillips Gelcaps
• 1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxyphenyl)-
• Fenolftaleina
• Phenophthalein
• 3,3-Bis(4-hydroxyphenyl)isobenzofuran-1(3H)-one
• NCI-C55798
• Phenolphthaleinum
• alpha-Di(p-hydroxyphenyl)phthalide
• Phenolphthalein,white
• Feen-A-Mint Laxative Mints
• 3,3-Bis(4-hydroxyphenyl)-2-benzofuran-1(3H)-one
• NSC 10464
• CCRIS 6266
• 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one
• Phthalide 3,3,-bis(p-hydroxyphenyl)-
• DTXSID0021125
• HSDB 4161
• EINECS 201-004-7
• UNII-6QK969R2IF
• component of Agoral
• 3,3-bis(4-hydroxyphenyl)-1,3-dihydro-2-benzofuran-1-one
• BRN 0284423
• 6QK969R2IF
• Yellow phenolphthalein
• CHEBI:34914
• AI3-09081
• MFCD00005913
• NSC-10464
• PHENOLPHTHALEIN, WHITE
• CHEMBL63857
• MLS000069592
• DTXCID901125
• Correctol
• EC 201-004-7
• 5-18-04-00188 (Beilstein Handbook Reference)
• NSC10464
• alpha-(p-Hydroxyphenyl)-alpha-(4-oxo-2,5-cyclohexadien-1-ylidene)-o-toluic acid
• Evac-Q-Kwik
• Evac-Q-Kit
• Evac-U-Gen
• component of Correctol
• Phenolphthalein (INN)
• NCGC00018200-07
• SMR000059015
• Agoral
• Fenolftalein [Czech]
• PHENOLPHTHALEIN [INN]
• PHENOLPHTHALEIN (IARC)
• PHENOLPHTHALEIN [IARC]
• Fenolftaleina [INN-Spanish]
• PHENOLPHTHALEIN (MART.)
• PHENOLPHTHALEIN [MART.]
• Phenolphtaleine [INN-French]
• Phenolphthaleinum [INN-Latin]
• Phthalide 3,-bis(p-hydroxyphenyl)-
• PHENOLPHTHALEIN (EP MONOGRAPH)
• PHENOLPHTHALEIN [EP MONOGRAPH]
• CAS-77-09-8
• WLN: T56 BVO DHJ D- D-/R DQ 2
• 1(3H)-Isobenzofuranone,3-bis(4-hydroxyphenyl)-
• phenolphtalein
• Phenolphthalein [USP:INN:BAN]
• FGT
• white phenolphthalein
• Doxan (Salt/Mix)
• Agoral (Salt/Mix)
• Modane (TN)
• Phenolphthalein,(S)
• Laxcaps (Salt/Mix)
• Phenolphthalein,yellow
• PHENPOLPHTHALEIN
• Phenolphthalein solution
• Spectrum_001077
• Opera_ID_1337
• Spectrum2_001279
• Spectrum3_000888
• Spectrum4_000982
• Spectrum5_001268
• Modane Plus (Salt/Mix)
• 3,3-bis(4-hydroxyphenyl)isobenzofuran-1-one
• Phenolphthalein ACS reagent
• Phenolphthalein solution R1
• PHENOLPHTHALIN [MI]
• cid_4764
• PHENOLPHTHALEIN [MI]
• Phenolphthalein, ACS reagent
• SCHEMBL27670
• BSPBio_002518
• KBioGR_001383
• KBioSS_001557
• Phenolphthalein, pH indicator
• MLS001148397
• BIDD:ER0202
• DivK1c_000929
• PHENOLPHTHALEIN [HSDB]
• PHENOLPHTHALEIN [INCI]
• SPECTRUM1500480
• Phenolphthalein Paper, DAB 6
• SPBio_001278
• PHENOLPHTHALEIN [VANDF]
• 3,3-bis(4-hydroxyphenyl)-3-hydroisobenzofuran-1-one
• PHENPOLPHTHALEIN [VANDF]
• PHENOLPHTHALEIN [WHO-DD]
• BCBcMAP01_000174
• HMS502O11
• KBio1_000929
• KBio2_001557
• KBio2_004125
• KBio2_006693
• KBio3_001776
• A06AB04
• NINDS_000929
• BP_31
• HMS1920H04
• HMS2091P06
• HMS2236I09
• HMS3374P06
• Pharmakon1600-01500480
• component of Correctol (Salt/Mix)
• AMY37148
• HY-D0211
• Phenolphthalein, p.a., ACS reagent
• Tox21_110838
• Tox21_202219
• Tox21_300282
• BDBM50077844
• CCG-39112
• NSC215214
• NSC757271
• PHENOLPHTHALEIN,WHITE [VANDF]
• s5395
• AKOS000493033
• Tox21_110838_1
• CS-8152
• DB04824
• NSC-215214
• NSC-757271
• IDI1_000929
• SMP1_000235
• NCGC00018200-01
• NCGC00018200-02
• NCGC00018200-03
• NCGC00018200-04
• NCGC00018200-05
• NCGC00018200-06
• NCGC00018200-08
• NCGC00018200-09
• NCGC00018200-10
• NCGC00018200-12
• NCGC00023694-03
• NCGC00023694-04
• NCGC00023694-05
• NCGC00023694-06
• NCGC00023694-07
• NCGC00254039-01
• NCGC00259768-01
• AC-14431
• BP-30100
• VS-01000
• 2,2-BIS(P-HYDROXYPHENYL)PHTHALIDE
• SBI-0051481.P003
• EU-0082600
• FT-0659094
• P0094
• P0700
• P0701
• P0702
• 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-on
• EN300-92962
• Phenolphthalein, SAJ first grade, >=97.0%
• .alpha., .alpha.-Di(p-hydroxyphenyl)phthalide
• 3,3-bis (4-hydroxyphenyl)-2-benzofuran-1-on
• D05456
• H12020
• Phenolphthalein, JIS special grade, >=98.0%
• AB00052070_15
• Q187921
• SR-01000000112
• 3,3-Bis-(4-hydroxyphenyl)-1-(3H)-isobenzofuranon
• Q-201555
• SR-01000000112-2
• 3,3-Bis(4-hydroxyphenyl)-2-benzofuran-1(3H)-one #
• 3,3-Bis-(4-hydroxy-phenyl)-3H-isobenzofuran-1-one
• BRD-K19227686-001-02-0
• BRD-K19227686-001-12-9
• Z57233591
• F0921-4309
• Phenolphthalein (263 degrees C) Melting Point Standard
• Phenolphthalein, United States Pharmacopeia (USP) Reference Standard
• ALPHA-(P-HYDROXYPHENYL)-ALPHA-(4-OXO-2,5-CYCLOHEXADIEN-1-YLIDINE)-O-TOLUIC ACID
• InChI=1/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL1293235	P02545	Prelamin-A/C	25.1 nM	Potency	via Super-PRED
CHEMBL1293232	Q16637	Survival motor neuron protein	354.8 nM	Potency	via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	97.17%	91.11%
CHEMBL2581	P07339	Cathepsin D	93.10%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.86%	95.56%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	88.20%	82.69%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	84.38%	99.23%
CHEMBL4208	P20618	Proteasome component C5	84.26%	90.00%

Plants that contains it

• Caragana conferta

Cross-Links

• PubChem: 4764
• LOTUS: LTS0225588
• wikiData: Q187921