(2S)-2-(2,4-dichloro-3-methylphenyl)-2-hydroxyacetic acid

C9H8Cl2O3 — CID 125129497

IUPAC(2S)-2-(2,4-dichloro-3-methylphenyl)-2-hydroxyacetic acid
SMILESCc1c(Cl)ccc([C@H](O)C(=O)O)c1Cl
InChIInChI=1S/C9H8Cl2O3/c1-4-6(10)3-2-5(7(4)11)8(12)9(13)14/h2-3,8,12H,1H3,(H,13,14)/t8-/m0/s1
InChIKeyQNQCXCDQLUSXQJ-QMMMGPOBSA-N
MW235.07 g/mol
LogP2.42
Rot. Bonds2

About (2S)-2-(2,4-dichloro-3-methylphenyl)-2-hydroxyacetic acid

(2S)-2-(2,4-dichloro-3-methylphenyl)-2-hydroxyacetic acid (PubChem CID 125129497) has the molecular formula C9H8Cl2O3 and a molecular weight of 235.07 g/mol. Its IUPAC name is (2S)-2-(2,4-dichloro-3-methylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name(2S)-2-(2,4-dichloro-3-methylphenyl)-2-hydroxyacetic acid
PubChem CID125129497
Molecular FormulaC9H8Cl2O3
Molecular Weight235.07 g/mol
Exact Mass233.99
IUPAC Name(2S)-2-(2,4-dichloro-3-methylphenyl)-2-hydroxyacetic acid
SMILESCc1c(Cl)ccc([C@H](O)C(=O)O)c1Cl
InChIInChI=1S/C9H8Cl2O3/c1-4-6(10)3-2-5(7(4)11)8(12)9(13)14/h2-3,8,12H,1H3,(H,13,14)/t8-/m0/s1
InChIKeyQNQCXCDQLUSXQJ-QMMMGPOBSA-N
XLogP2.42
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.07
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(2,4-dichloro-3-methylphenyl)-2-hydroxyacetic 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

2-(2,3-dichloro-4-fluorophenyl)-2-hydroxyacetic acid
CID 119001488
2-(2,3-dichloro-4-hydroxyphenyl)-2-hydroxyacetic acid
CID 118826485
(2S)-2-[2,4-dichloro-3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 125129554
2-(3,4-difluoro-2-methylphenyl)-2-hydroxyacetic acid
CID 131032215
2-(2-chloro-3-propanoylphenyl)-2-hydroxyacetic acid
CID 118991203
(2R)-2-(2,4-dichloro-5-methylphenyl)-2-hydroxyacetic acid
CID 125129481
2-(3-chloro-5-fluoro-2-methylphenyl)-2-hydroxyacetic acid
CID 117311528
2-(2-bromo-4-chloro-3-fluorophenyl)-2-hydroxyacetic acid
CID 117455834
2-[4-chloro-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 119019485
2-(2-chlorophenyl)-2-hydroxyacetic acid;copper
CID 174872808
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)-2-hydroxyacetic acid
CID 117363550
2-[2-chloro-5-(2,3,6-trichlorophenyl)phenyl]-2-hydroxyacetic acid
CID 134633847

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dichloro-3-methylphenyl)-2-hydroxyacetic acid?
The IUPAC name of (2S)-2-(2,4-dichloro-3-methylphenyl)-2-hydroxyacetic acid (CID 125129497) is (2S)-2-(2,4-dichloro-3-methylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for (2S)-2-(2,4-dichloro-3-methylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for (2S)-2-(2,4-dichloro-3-methylphenyl)-2-hydroxyacetic acid is Cc1c(Cl)ccc([C@H](O)C(=O)O)c1Cl.
What is the InChIKey of (2S)-2-(2,4-dichloro-3-methylphenyl)-2-hydroxyacetic acid?
The InChIKey is QNQCXCDQLUSXQJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H8Cl2O3/c1-4-6(10)3-2-5(7(4)11)8(12)9(13)14/h2-3,8,12H,1H3,(H,13,14)/t8-/m0/s1.
What are the key properties of (2S)-2-(2,4-dichloro-3-methylphenyl)-2-hydroxyacetic acid?
(2S)-2-(2,4-dichloro-3-methylphenyl)-2-hydroxyacetic acid has a molecular weight of 235.07 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dichloro-3-methylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 125129497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).