2-hydroxy-3-phenylpropanoic acid

C9H10O3 — CID 3848

IUPAC2-hydroxy-3-phenylpropanoic acid
SMILESO=C(O)C(O)Cc1ccccc1
InChIInChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)
InChIKeyVOXXWSYKYCBWHO-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.67
Rot. Bonds3

About 2-hydroxy-3-phenylpropanoic acid

2-hydroxy-3-phenylpropanoic acid (PubChem CID 3848) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-hydroxy-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-phenylpropanoic acid
PubChem CID3848
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name2-hydroxy-3-phenylpropanoic acid
SMILESO=C(O)C(O)Cc1ccccc1
InChIInChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)
InChIKeyVOXXWSYKYCBWHO-UHFFFAOYSA-N
XLogP0.67
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-hydroxy-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

Phenylacetic Acid
CID 999
4-Phenylbutyric Acid
CID 4775
Phenylpyruvic acid
CID 997
Benzenepropanoic acid
CID 107
Mandelic Acid
CID 1292
(S)-mandelic acid
CID 439616
3-Phenyllactic acid, (S)-
CID 444718
Isopropyl Phenylacetate
CID 62553
(-)-Mandelic acid
CID 11914
Benzenepentanoic acid
CID 16757
3-Hydroxy-4-phenylbutan-2-one
CID 6428929
Ethyl mandelate
CID 13050

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-phenylpropanoic acid?
The IUPAC name of 2-hydroxy-3-phenylpropanoic acid (CID 3848) is 2-hydroxy-3-phenylpropanoic acid.
What is the SMILES notation for 2-hydroxy-3-phenylpropanoic acid?
The canonical SMILES for 2-hydroxy-3-phenylpropanoic acid is O=C(O)C(O)Cc1ccccc1.
What is the InChIKey of 2-hydroxy-3-phenylpropanoic acid?
The InChIKey is VOXXWSYKYCBWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12).
What are the key properties of 2-hydroxy-3-phenylpropanoic acid?
2-hydroxy-3-phenylpropanoic acid has a molecular weight of 166.18 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-phenylpropanoic acid is sourced from PubChem (CID 3848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).