2-(2-chloro-4-hydroxy-3-methylphenyl)propanoic acid

C10H11ClO3 — CID 165347543

IUPAC2-(2-chloro-4-hydroxy-3-methylphenyl)propanoic acid
SMILESCc1c(O)ccc(C(C)C(=O)O)c1Cl
InChIInChI=1S/C10H11ClO3/c1-5(10(13)14)7-3-4-8(12)6(2)9(7)11/h3-5,12H,1-2H3,(H,13,14)
InChIKeyCDKWTZLXPJKKIJ-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.54
Rot. Bonds2

About 2-(2-chloro-4-hydroxy-3-methylphenyl)propanoic acid

2-(2-chloro-4-hydroxy-3-methylphenyl)propanoic acid (PubChem CID 165347543) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is 2-(2-chloro-4-hydroxy-3-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(2-chloro-4-hydroxy-3-methylphenyl)propanoic acid
PubChem CID165347543
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name2-(2-chloro-4-hydroxy-3-methylphenyl)propanoic acid
SMILESCc1c(O)ccc(C(C)C(=O)O)c1Cl
InChIInChI=1S/C10H11ClO3/c1-5(10(13)14)7-3-4-8(12)6(2)9(7)11/h3-5,12H,1-2H3,(H,13,14)
InChIKeyCDKWTZLXPJKKIJ-UHFFFAOYSA-N
XLogP2.54
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-3-hydroxy-5-methylphenyl)propanoic acid
CID 117305876
2-(4-bromo-3-chloro-2-hydroxyphenyl)propanoic acid
CID 84811622
2-(2-hydroxy-3,4-dimethylphenyl)propanoic acid
CID 83878748
2-(5-hydroxy-2,3,4-trimethylphenyl)propanoic acid
CID 121015128
2-[2-chloro-3-methyl-4-(1,3-thiazol-2-yloxy)phenyl]propanoic acid
CID 12785136
2-[4-(4-hydroxyphenyl)-2,3-dimethylphenyl]propanoic acid
CID 67119258
(2S)-2-(2,4-dichloro-3-methylphenyl)-2-hydroxyacetic acid
CID 125129497
2-(6-chloro-2,3-dihydroxyphenyl)propanoic acid
CID 117308570
(2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]propanoic acid
CID 129389983
dipotassium;2-(2-hydroxy-4-methylphenyl)propanoic acid;sulfate
CID 70514513
2-(2,5-dihydroxy-4-methylphenyl)propanoic acid
CID 23177136
2-(2,3-dichloro-4-hydroxyphenyl)-2-hydroxyacetic acid
CID 118826485

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-hydroxy-3-methylphenyl)propanoic acid?
The IUPAC name of 2-(2-chloro-4-hydroxy-3-methylphenyl)propanoic acid (CID 165347543) is 2-(2-chloro-4-hydroxy-3-methylphenyl)propanoic acid.
What is the SMILES notation for 2-(2-chloro-4-hydroxy-3-methylphenyl)propanoic acid?
The canonical SMILES for 2-(2-chloro-4-hydroxy-3-methylphenyl)propanoic acid is Cc1c(O)ccc(C(C)C(=O)O)c1Cl.
What is the InChIKey of 2-(2-chloro-4-hydroxy-3-methylphenyl)propanoic acid?
The InChIKey is CDKWTZLXPJKKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-5(10(13)14)7-3-4-8(12)6(2)9(7)11/h3-5,12H,1-2H3,(H,13,14).
What are the key properties of 2-(2-chloro-4-hydroxy-3-methylphenyl)propanoic acid?
2-(2-chloro-4-hydroxy-3-methylphenyl)propanoic acid has a molecular weight of 214.65 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-hydroxy-3-methylphenyl)propanoic acid is sourced from PubChem (CID 165347543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).