2-(2,3-dichloro-4-methylphenyl)acetic acid

C9H8Cl2O2 — CID 119014032

IUPAC2-(2,3-dichloro-4-methylphenyl)acetic acid
SMILESCc1ccc(CC(=O)O)c(Cl)c1Cl
InChIInChI=1S/C9H8Cl2O2/c1-5-2-3-6(4-7(12)13)9(11)8(5)10/h2-3H,4H2,1H3,(H,12,13)
InChIKeyOEXXVXBPBCQLQV-UHFFFAOYSA-N
MW219.07 g/mol
LogP2.93
Rot. Bonds2

About 2-(2,3-dichloro-4-methylphenyl)acetic acid

2-(2,3-dichloro-4-methylphenyl)acetic acid (PubChem CID 119014032) has the molecular formula C9H8Cl2O2 and a molecular weight of 219.07 g/mol. Its IUPAC name is 2-(2,3-dichloro-4-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-(2,3-dichloro-4-methylphenyl)acetic acid
PubChem CID119014032
Molecular FormulaC9H8Cl2O2
Molecular Weight219.07 g/mol
Exact Mass217.99
IUPAC Name2-(2,3-dichloro-4-methylphenyl)acetic acid
SMILESCc1ccc(CC(=O)O)c(Cl)c1Cl
InChIInChI=1S/C9H8Cl2O2/c1-5-2-3-6(4-7(12)13)9(11)8(5)10/h2-3H,4H2,1H3,(H,12,13)
InChIKeyOEXXVXBPBCQLQV-UHFFFAOYSA-N
XLogP2.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-chloro-2-hydroxy-4-methylphenyl)butanoic acid
CID 117329471
2-(4-chloro-3-methyl-1H-indol-5-yl)acetic acid
CID 174764483
2-(4-chloro-2,3-dimethylphenyl)acetic acid
CID 66771246
2-(3-chloro-2,6-dimethylphenyl)acetic acid
CID 18401133
2,3-dichloro-1-[(2,3-dichlorophenyl)methyl]-4-methylbenzene
CID 14252253
2-(3-chloro-2-methyl-4-pyridinyl)acetic acid
CID 126972308
3-chloro-1-ethyl-2,4-dimethylbenzene
CID 141381436
2-(6-chloro-2-fluoro-3-methylphenyl)acetic acid
CID 2773689
2-(3,4-dimethyl-2-sulfanylphenyl)acetic acid
CID 91874745
2-(3,4-diamino-2-chlorophenyl)acetic acid
CID 171016624
2-(2-bromo-3,4-dichlorophenyl)acetic acid
CID 54442363
2-amino-3-(3-chloro-2,4-dimethylphenyl)propanoic acid
CID 84791820

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloro-4-methylphenyl)acetic acid?
The IUPAC name of 2-(2,3-dichloro-4-methylphenyl)acetic acid (CID 119014032) is 2-(2,3-dichloro-4-methylphenyl)acetic acid.
What is the SMILES notation for 2-(2,3-dichloro-4-methylphenyl)acetic acid?
The canonical SMILES for 2-(2,3-dichloro-4-methylphenyl)acetic acid is Cc1ccc(CC(=O)O)c(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichloro-4-methylphenyl)acetic acid?
The InChIKey is OEXXVXBPBCQLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O2/c1-5-2-3-6(4-7(12)13)9(11)8(5)10/h2-3H,4H2,1H3,(H,12,13).
What are the key properties of 2-(2,3-dichloro-4-methylphenyl)acetic acid?
2-(2,3-dichloro-4-methylphenyl)acetic acid has a molecular weight of 219.07 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloro-4-methylphenyl)acetic acid is sourced from PubChem (CID 119014032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).