(2R)-2-(2,4-dichloro-5-methylphenyl)-2-hydroxyacetic acid

C9H8Cl2O3 — CID 125129481

IUPAC(2R)-2-(2,4-dichloro-5-methylphenyl)-2-hydroxyacetic acid
SMILESCc1cc([C@@H](O)C(=O)O)c(Cl)cc1Cl
InChIInChI=1S/C9H8Cl2O3/c1-4-2-5(8(12)9(13)14)7(11)3-6(4)10/h2-3,8,12H,1H3,(H,13,14)/t8-/m1/s1
InChIKeyNRPKCBPPLIERJH-MRVPVSSYSA-N
MW235.07 g/mol
LogP2.42
Rot. Bonds2

About (2R)-2-(2,4-dichloro-5-methylphenyl)-2-hydroxyacetic acid

(2R)-2-(2,4-dichloro-5-methylphenyl)-2-hydroxyacetic acid (PubChem CID 125129481) has the molecular formula C9H8Cl2O3 and a molecular weight of 235.07 g/mol. Its IUPAC name is (2R)-2-(2,4-dichloro-5-methylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name(2R)-2-(2,4-dichloro-5-methylphenyl)-2-hydroxyacetic acid
PubChem CID125129481
Molecular FormulaC9H8Cl2O3
Molecular Weight235.07 g/mol
Exact Mass233.99
IUPAC Name(2R)-2-(2,4-dichloro-5-methylphenyl)-2-hydroxyacetic acid
SMILESCc1cc([C@@H](O)C(=O)O)c(Cl)cc1Cl
InChIInChI=1S/C9H8Cl2O3/c1-4-2-5(8(12)9(13)14)7(11)3-6(4)10/h2-3,8,12H,1H3,(H,13,14)/t8-/m1/s1
InChIKeyNRPKCBPPLIERJH-MRVPVSSYSA-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 (2R)-2-(2,4-dichloro-5-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-(2,5-dichloro-4-hydroxyphenyl)-2-hydroxyacetic acid
CID 119022274
2-(3-chloro-2,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid
CID 117406025
2-(5-chloro-2-hydroxy-3-methylphenyl)-2-hydroxyacetic acid
CID 117308561
2-(4-bromo-2-chloro-5-fluorophenyl)-2-hydroxyacetic acid
CID 171000601
2-(3-chloro-5-fluoro-2-methylphenyl)-2-hydroxyacetic acid
CID 117311528
2-(5-bromo-2-chloro-4-fluorophenyl)-2-hydroxyacetic acid
CID 117455837
2-[2-(dimethylamino)-4,5-dimethylphenyl]-2-hydroxyacetic acid
CID 117108576
(2S)-2-(2,4-dichloro-3-methylphenyl)-2-hydroxyacetic acid
CID 125129497
2-(4,5-dimethyl-2-nitrophenyl)-2-hydroxyacetic acid
CID 118806557
2-(3-bromo-5-chloro-2-methylphenyl)-2-hydroxyacetic acid
CID 171002346
2-(2,5-dibromo-4-methylphenyl)-2-hydroxyacetic acid
CID 171003131
1,5-dichloro-2,4-dimethylbenzene
CID 4174838

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-dichloro-5-methylphenyl)-2-hydroxyacetic acid?
The IUPAC name of (2R)-2-(2,4-dichloro-5-methylphenyl)-2-hydroxyacetic acid (CID 125129481) is (2R)-2-(2,4-dichloro-5-methylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for (2R)-2-(2,4-dichloro-5-methylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for (2R)-2-(2,4-dichloro-5-methylphenyl)-2-hydroxyacetic acid is Cc1cc([C@@H](O)C(=O)O)c(Cl)cc1Cl.
What is the InChIKey of (2R)-2-(2,4-dichloro-5-methylphenyl)-2-hydroxyacetic acid?
The InChIKey is NRPKCBPPLIERJH-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H8Cl2O3/c1-4-2-5(8(12)9(13)14)7(11)3-6(4)10/h2-3,8,12H,1H3,(H,13,14)/t8-/m1/s1.
What are the key properties of (2R)-2-(2,4-dichloro-5-methylphenyl)-2-hydroxyacetic acid?
(2R)-2-(2,4-dichloro-5-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 (2R)-2-(2,4-dichloro-5-methylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 125129481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).