Methoxyphenylacetic acid

Details

• Internal ID: 28b23fa1-1c5b-46fd-875c-8a7c17a5595d
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Benzylethers
• IUPAC Name: 2-methoxy-2-phenylacetic acid
• SMILES (Canonical): COC(C1=CC=CC=C1)C(=O)O
• SMILES (Isomeric): COC(C1=CC=CC=C1)C(=O)O
• InChI: InChI=1S/C9H10O3/c1-12-8(9(10)11)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,10,11)
• InChI Key: DIWVBIXQCNRCFE-UHFFFAOYSA-N
• Popularity: 73 references in papers

Physical and Chemical Properties

• Molecular Formula: C₉H₁₀O₃
• Molecular Weight: 166.17 g/mol
• Exact Mass: 166.062994177 g/mol
• Topological Polar Surface Area (TPSA): 46.50 Ų
• XlogP: 1.40

Synonyms

• 7021-09-2
• Methoxyphenylacetic acid
• Methoxy(phenyl)acetic acid
• DL-alpha-METHOXYPHENYLACETIC ACID
• MOPA
• alpha-Methoxyphenylacetic acid
• 1701-77-5
• Acetic acid, methoxyphenyl-
• O-Methyl-DL-mandelic acid
• 2-methoxy-2-phenyl-acetic acid
• Benzeneacetic acid, .alpha.-methoxy-
• a-methoxyphenylacetic acid
• MFCD00064217
• DL-Methoxyphenylacetic acid
• MAT0P17A95
• .alpha.-Methoxyphenylacetic acid
• DTXSID9020829
• NSC 5665
• NSC-5665
• (+/-)-2-Methoxy-2-phenylacetic acid
• VL35DS7HGX
• WA8N5X9TFK
• Methoxyphenylacetic acid, (+)-
• Methoxyphenylacetic acid, (-)-
• alpha-Methoxybenzeneacetic acid
• (methyloxy)(phenyl)acetic acid
• MFCD00064216
• MPA cpd
• (R)-(-)-.alpha.-Methoxyphenylacetic acid
• Benzeneacetic acid, .alpha.-methoxy-, (R)-
• Benzeneacetic acid, .alpha.-methoxy-, (S)-
• methoxy phenylacetic acid
• methoxy-phenylacetic acid
• UNII-VL35DS7HGX
• UNII-WA8N5X9TFK
• DL-O-Methylmandelic Acid
• Acetic acid, methoxyphenyl
• Bionet2_000356
• |A-Methoxyphenylacetic acid
• UNII-MAT0P17A95
• DTXCID90829
• SCHEMBL155984
• ()-(methoxy)phenylacetic acid
• (1)-(Methoxy)phenylacetic acid
• CHEMBL3182106
• NSC5665
• CHEBI:167718
• (+/-)-a-Methoxyphenylacetic acid
• Benzeneacetic acid, alpha-methoxy-
• DL-I+/--Methoxyphenylacetic Acid
• HMS1365A04
• (-)-alpha-methoxyphenylacetic acid
• AMY40689
• (RS)-alpha-Methoxyphenylacetic acid
• EINECS 216-933-3
• EINECS 223-580-9
• EINECS 230-300-9
• EINECS 247-492-5
• Tox21_301985
• (r)-(-)-a-methoxyphenylacetic acid
• alpha-Methoxyphenylacetic acid, 99%
• (+/-)-alpha-Methoxyphenylacetic acid
• AKOS000113715
• AKOS016339674
• CS-W010811
• SB10521
• (+/-)- alpha -Methoxyphenylacetic acid
• (S)-(-)-alpha-Methoxyphenylacetic acid
• NCGC00255165-01
• SY012964
• SY013786
• SY021799
• (+)-alpha-methoxy-alpha-phenylacetic acid
• CAS-1701-77-5
• METHOXYPHENYLACETIC ACID, (+/-)-
• AI3-19941
• (RS)-2-METHOXY-2-PHENYLACETIC ACID
• FT-0605066
• FT-0605272
• FT-0624375
• M0837
• EN300-42701
• (+/-)-.ALPHA.-METHOXYPHENYLACETIC ACID
• (+/-)-alpha-Methoxyphenylacetic acid, crystalline
• 12N-121
• A914662
• Benzeneacetic acid, .alpha.-methoxy-, (.+/-.)-
• J-016290
• J-509783
• Q27283784
• Z316258914

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.41%	96.09%
CHEMBL2581	P07339	Cathepsin D	92.87%	98.95%
CHEMBL1821	P08173	Muscarinic acetylcholine receptor M4	92.42%	94.08%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.87%	95.56%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	86.32%	95.50%
CHEMBL1293249	Q13887	Kruppel-like factor 5	84.30%	86.33%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	82.92%	91.11%
CHEMBL3060	Q9Y345	Glycine transporter 2	80.71%	99.17%

Plants that contains it

• Olea europaea

Cross-Links

• PubChem: 107202
• LOTUS: LTS0197706
• wikiData: Q27283784