(3S)-3-(2-chlorophenyl)-3-hydroxypropanoic acid

C9H9ClO3 — CID 11975499

IUPAC(3S)-3-(2-chlorophenyl)-3-hydroxypropanoic acid
SMILESO=C(O)C[C@H](O)c1ccccc1Cl
InChIInChI=1S/C9H9ClO3/c10-7-4-2-1-3-6(7)8(11)5-9(12)13/h1-4,8,11H,5H2,(H,12,13)/t8-/m0/s1
InChIKeyXDILSCIPACPCMZ-QMMMGPOBSA-N
MW200.62 g/mol
LogP1.85
Rot. Bonds3

About (3S)-3-(2-chlorophenyl)-3-hydroxypropanoic acid

(3S)-3-(2-chlorophenyl)-3-hydroxypropanoic acid (PubChem CID 11975499) has the molecular formula C9H9ClO3 and a molecular weight of 200.62 g/mol. Its IUPAC name is (3S)-3-(2-chlorophenyl)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(3S)-3-(2-chlorophenyl)-3-hydroxypropanoic acid
PubChem CID11975499
Molecular FormulaC9H9ClO3
Molecular Weight200.62 g/mol
Exact Mass200.02
IUPAC Name(3S)-3-(2-chlorophenyl)-3-hydroxypropanoic acid
SMILESO=C(O)C[C@H](O)c1ccccc1Cl
InChIInChI=1S/C9H9ClO3/c10-7-4-2-1-3-6(7)8(11)5-9(12)13/h1-4,8,11H,5H2,(H,12,13)/t8-/m0/s1
InChIKeyXDILSCIPACPCMZ-QMMMGPOBSA-N
XLogP1.85
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S)-3-(2-chlorophenyl)-3-hydroxypropanoic 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

3-(2-chlorophenyl)butanoic acid
CID 54775987
1-chloro-4-(2-chlorophenyl)-4-hydroxybutan-2-one
CID 86094254
3-(3-chloro-2-methoxyphenyl)-3-hydroxypropanoic acid
CID 82619390
(1R)-2-amino-1-(2-chlorophenyl)ethanol;hydrochloride
CID 70700860
(1R)-2-bromo-1-(2-chlorophenyl)ethanol
CID 25324199
4-(2-chlorophenyl)-N,4-dihydroxy-N-methyl-2-oxobutanamide
CID 174688321
2-(2-chlorophenyl)-2-hydroxyacetic acid;copper
CID 174872808
(3S)-3-(2-chlorophenyl)-3-hydroxy-N-phenylmethoxypropanamide
CID 88853307
3-(2-chlorophenyl)-3-piperidin-1-ylpropanoic acid
CID 64527224
(3R)-3-(2-chlorophenyl)-4-nitrobutanoic acid
CID 94688236
[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl] acetate
CID 59063100
(3S)-3-(2-chloro-6-fluorophenyl)-3-hydroxypropanoic acid
CID 94425333

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-chlorophenyl)-3-hydroxypropanoic acid?
The IUPAC name of (3S)-3-(2-chlorophenyl)-3-hydroxypropanoic acid (CID 11975499) is (3S)-3-(2-chlorophenyl)-3-hydroxypropanoic acid.
What is the SMILES notation for (3S)-3-(2-chlorophenyl)-3-hydroxypropanoic acid?
The canonical SMILES for (3S)-3-(2-chlorophenyl)-3-hydroxypropanoic acid is O=C(O)C[C@H](O)c1ccccc1Cl.
What is the InChIKey of (3S)-3-(2-chlorophenyl)-3-hydroxypropanoic acid?
The InChIKey is XDILSCIPACPCMZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H9ClO3/c10-7-4-2-1-3-6(7)8(11)5-9(12)13/h1-4,8,11H,5H2,(H,12,13)/t8-/m0/s1.
What are the key properties of (3S)-3-(2-chlorophenyl)-3-hydroxypropanoic acid?
(3S)-3-(2-chlorophenyl)-3-hydroxypropanoic acid has a molecular weight of 200.62 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-chlorophenyl)-3-hydroxypropanoic acid is sourced from PubChem (CID 11975499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).