(+-)-3-Phenyllactic acid

C9H10O3 — CID 3848

IUPAC2-hydroxy-3-phenylpropanoic acid
SMILESC1=CC=C(C=C1)CC(C(=O)O)O
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
MW166.17 g/mol
LogP1.10
Rot. Bonds3

About (+-)-3-Phenyllactic acid

(+-)-3-Phenyllactic acid (PubChem CID 3848) has the molecular formula C9H10O3 and a molecular weight of 166.17 g/mol. Its IUPAC name is 2-hydroxy-3-phenylpropanoic acid.

Molecular Properties

Compound Name(+-)-3-Phenyllactic acid
PubChem CID3848
Molecular FormulaC9H10O3
Molecular Weight166.17 g/mol
Exact Mass166.06
IUPAC Name2-hydroxy-3-phenylpropanoic acid
SMILESC1=CC=C(C=C1)CC(C(=O)O)O
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
XLogP1.10
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity150

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.17
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (+-)-3-Phenyllactic 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 (+-)-3-Phenyllactic acid?
The IUPAC name of (+-)-3-Phenyllactic acid (CID 3848) is 2-hydroxy-3-phenylpropanoic acid.
What is the SMILES notation for (+-)-3-Phenyllactic acid?
The canonical SMILES for (+-)-3-Phenyllactic acid is C1=CC=C(C=C1)CC(C(=O)O)O.
What is the InChIKey of (+-)-3-Phenyllactic 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 (+-)-3-Phenyllactic acid?
(+-)-3-Phenyllactic acid has a molecular weight of 166.17 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (+-)-3-Phenyllactic acid is sourced from PubChem (CID 3848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).