(+-)-Cyclohexylphenylglycolic acid

Details

• Internal ID: 27f8bfee-9987-4c5f-87e5-9799641187c6
• Taxonomy: Benzenoids > Benzene and substituted derivatives
• IUPAC Name: 2-cyclohexyl-2-hydroxy-2-phenylacetic acid
• InChI: InChI=1S/C14H18O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12,17H,2,5-6,9-10H2,(H,15,16)
• InChI Key: YTRNSQPXEDGWMR-UHFFFAOYSA-N
• Popularity: 45 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₁₈O₃
• Molecular Weight: 234.29 g/mol
• Exact Mass: 234.125594432 g/mol
• Topological Polar Surface Area (TPSA): 57.50 Ų
• XlogP: 3.00

Synonyms

• alpha-Cyclohexylmandelic acid
• Cyclohexylphenylglycolic acid
• Hexahydrobenzilic acid
• (+-)-Cyclohexylphenylglycolic acid
• 2-Cyclohexyl-2-hydroxy-2-phenyl-acetic acid
• QH762W903U
• NSC-28945
• NSC-93969
• Benzeneacetic acid, alpha-cyclohexyl-alpha-hydroxy-
• RCC-32
• DTXSID50863369
• RefChem:1049030
• DTXCID40218304
• 224-380-4
• 2-cyclohexyl-2-hydroxy-2-phenylacetic acid
• 2-cyclohexylmandelic acid
• Cyclohexyl-hydroxy-phenyl-acetic acid
• Cyclohexylmandelic acid
• 2-cyclohexyl-2-hydroxy-phenylacetic acid
• MFCD00194543
• 50896-04-3
• a-cyclohexylmandelic acid
• alpha-Cyclohexyl-DL-mandelic Acid
• Benzeneacetic acid, a-cyclohexyl-a-hydroxy-
• phenylcyclohexylglycolic acid
• cyclohexyl(hydroxy)phenylacetic acid
• (RS)-2-Cyclohexyl-2-hydroxy-2-phenylacetic Acid (Phenylcyclohexylglycolic Acid)
• Phenyl-cyclohexylglycolic acid
• RCC 32
• Oxybutynin Impurity 4
• alpha-Phenylcyclohexaneglycolic acid
• EINECS 224-380-4
• alpha-Cyclohexyl-alpha-hydroxybenzeneacetic acid
• KL-007-M1
• NSC 28945
• NSC 93969
• UNII-QH762W903U
• Acide phenylcyclohexylhydroxyacetique [French]
• 2-cyclohexyl-2-phenylglycolic acid
• Acide phenylcyclohexylhydroxyacetique
• CPGA
• Cyclohexaneglycolic acid, alpha-phenyl-
• cyclohexyl mandelic acid
• ChemDiv2_000672
• alpha cyclohexylmandelic acid
• Oprea1_543150
• cyclohexylphenyl glycolic acid
• MLS001211653
• SCHEMBL198082
• SCHEMBL1234776
• |A-Cyclohexyl-DL-mandelic Acid
• CHEMBL1333063
• alpha-cyclohexylphenylglycolic acid
• CHEBI:165187
• YTRNSQPXEDGWMR-UHFFFAOYSA-N
• HMS1370O12
• HMS2833F08
• alpha-Cyclohexylmandelic acid, 97%
• Cyclohexyl-hydroxy-phenylacetic acid
• NSC28945
• NSC93969
• SBB008619
• STK364404
• AKOS000300197
• AKOS016842341
• Cyclohexyl(hydroxy)(phenyl)acetic acid
• CCG-106579
• DS-1292
• EBC-170081
• Oxybutynin Hydrochloride EP Impurity D
• a-cyclohexyl-a-hydroxyphenyl acetic acid
• cyclohexyl (hydroxy) phenyl acetic acid
• NCGC00245367-01
• AC-16189
• SMR000518539
• SY011590
• 2-cyclohexyl-2-hydroxy-2-phenylaceticacid
• .ALPHA.-CYCLOHEXYL-DL-MANDELIC ACID
• DB-016883
• DB-115644
• .ALPHA.-PHENYLCYCLOHEXYLGLYCOLIC ACID
• 2-cyclohexyl-2-hydroxy-2-phenyl acetic acid
• C2393
• CS-0156519
• NS00045830
• ST50016897
• EN300-7392541
• (RS)-2-cyclohexyl-2-hydroxy-2-phenylacetic acid
• AE-641/03292035
• F024809
• |A inverted exclamation mark-Cyclohexylmandelic acid
• .ALPHA.-CYCLOHEXYL-.ALPHA.-PHENYLGLYCOLIC ACID
• BRD-A49752073-001-07-3
• Q27287264
• OXYBUTYNIN HYDROCHLORIDE IMPURITY D [EP IMPURITY]
• Z1741965610
• BENZENEACETIC ACID, .ALPHA.-CYCLOHEXYL-.ALPHA.-HYDROXY-

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	97.88%	94.62%
CHEMBL216	P11229	Muscarinic acetylcholine receptor M1	97.07%	94.23%
CHEMBL1821	P08173	Muscarinic acetylcholine receptor M4	95.99%	94.08%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.03%	95.56%
CHEMBL2581	P07339	Cathepsin D	89.96%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	88.97%	91.11%
CHEMBL3359	P21462	Formyl peptide receptor 1	86.85%	93.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	86.69%	96.09%
CHEMBL3475	P05121	Plasminogen activator inhibitor-1	82.14%	83.00%

Plants that contains it

• Lespedeza bicolor

Cross-Links

• PubChem: 97700
• LOTUS: LTS0079943
• wikiData: Q27287264