2-hydroxy-3-(2-methylphenyl)-3-phenylpropanoic acid

C16H16O3 — CID 79472078

IUPAC2-hydroxy-3-(2-methylphenyl)-3-phenylpropanoic acid
SMILESCc1ccccc1C(c1ccccc1)C(O)C(=O)O
InChIInChI=1S/C16H16O3/c1-11-7-5-6-10-13(11)14(15(17)16(18)19)12-8-3-2-4-9-12/h2-10,14-15,17H,1H3,(H,18,19)
InChIKeyVTGKUQWYPFHTOT-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.57
Rot. Bonds4

About 2-hydroxy-3-(2-methylphenyl)-3-phenylpropanoic acid

2-hydroxy-3-(2-methylphenyl)-3-phenylpropanoic acid (PubChem CID 79472078) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-hydroxy-3-(2-methylphenyl)-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(2-methylphenyl)-3-phenylpropanoic acid
PubChem CID79472078
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name2-hydroxy-3-(2-methylphenyl)-3-phenylpropanoic acid
SMILESCc1ccccc1C(c1ccccc1)C(O)C(=O)O
InChIInChI=1S/C16H16O3/c1-11-7-5-6-10-13(11)14(15(17)16(18)19)12-8-3-2-4-9-12/h2-10,14-15,17H,1H3,(H,18,19)
InChIKeyVTGKUQWYPFHTOT-UHFFFAOYSA-N
XLogP2.57
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-hydroxy-3-(2-methylphenyl)-3-phenylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3R)-3-amino-2-hydroxy-3-(2-methylphenyl)propanoic acid
CID 124510338
2-[(2-methylphenyl)-phenylmethyl]-1,3-diphenylpropane-1,3-dione
CID 102532176
3-(dimethylamino)-1-(2-methylphenyl)-1-phenylpropan-2-ol
CID 12549089
acetic acid;(2-methylphenyl)methanediol
CID 71361235
2-chloro-2-(2-methylphenyl)acetic acid
CID 23338325
2-[hydroxy-(2-methylphenyl)methyl]-3-methylbutanoic acid
CID 62396840
2-hydroxy-2-(2-methylphenyl)acetaldehyde
CID 22607874
(2R)-2-hydroxy-2-phenylacetic acid
CID 139040954
2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-hydroxyacetic acid
CID 11019130
acetic acid;2-hydroxy-2-phenylacetic acid
CID 67499056
1-(2-methylphenyl)-1-phenylpentan-3-one
CID 102348296
[(R)-(2-methylphenyl)-phenylmethyl]urea
CID 870913

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(2-methylphenyl)-3-phenylpropanoic acid?
The IUPAC name of 2-hydroxy-3-(2-methylphenyl)-3-phenylpropanoic acid (CID 79472078) is 2-hydroxy-3-(2-methylphenyl)-3-phenylpropanoic acid.
What is the SMILES notation for 2-hydroxy-3-(2-methylphenyl)-3-phenylpropanoic acid?
The canonical SMILES for 2-hydroxy-3-(2-methylphenyl)-3-phenylpropanoic acid is Cc1ccccc1C(c1ccccc1)C(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-(2-methylphenyl)-3-phenylpropanoic acid?
The InChIKey is VTGKUQWYPFHTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-11-7-5-6-10-13(11)14(15(17)16(18)19)12-8-3-2-4-9-12/h2-10,14-15,17H,1H3,(H,18,19).
What are the key properties of 2-hydroxy-3-(2-methylphenyl)-3-phenylpropanoic acid?
2-hydroxy-3-(2-methylphenyl)-3-phenylpropanoic acid has a molecular weight of 256.30 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(2-methylphenyl)-3-phenylpropanoic acid is sourced from PubChem (CID 79472078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).