2-(2-chloro-3-hydroxy-5-methylphenyl)propanoic acid

C10H11ClO3 — CID 117305876

IUPAC2-(2-chloro-3-hydroxy-5-methylphenyl)propanoic acid
SMILESCc1cc(O)c(Cl)c(C(C)C(=O)O)c1
InChIInChI=1S/C10H11ClO3/c1-5-3-7(6(2)10(13)14)9(11)8(12)4-5/h3-4,6,12H,1-2H3,(H,13,14)
InChIKeyHSSICIPIYYZRIW-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.54
Rot. Bonds2

About 2-(2-chloro-3-hydroxy-5-methylphenyl)propanoic acid

2-(2-chloro-3-hydroxy-5-methylphenyl)propanoic acid (PubChem CID 117305876) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is 2-(2-chloro-3-hydroxy-5-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(2-chloro-3-hydroxy-5-methylphenyl)propanoic acid
PubChem CID117305876
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name2-(2-chloro-3-hydroxy-5-methylphenyl)propanoic acid
SMILESCc1cc(O)c(Cl)c(C(C)C(=O)O)c1
InChIInChI=1S/C10H11ClO3/c1-5-3-7(6(2)10(13)14)9(11)8(12)4-5/h3-4,6,12H,1-2H3,(H,13,14)
InChIKeyHSSICIPIYYZRIW-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-(3-bromo-2-hydroxy-5-methylphenyl)propanoic acid
CID 83901747
2-(2-chloro-4-hydroxy-3-methylphenyl)propanoic acid
CID 165347543
2-(5-hydroxy-2,3,4-trimethylphenyl)propanoic acid
CID 121015128
2-(2-chloro-3-hydroxy-5-methylphenyl)acetic acid
CID 117289539
2-(2,5-dihydroxy-4-methylphenyl)propanoic acid
CID 23177136
dipotassium;2-(2-hydroxy-4-methylphenyl)propanoic acid;sulfate
CID 70514513
2-(2,5-dichloro-3-fluorophenyl)propanoic acid
CID 117345921
(2R)-2-(2,4,6-trimethylphenyl)propanoic acid
CID 54026726
2-(2-chloro-6-ethyl-4-methylphenyl)propanoic acid
CID 69441994
2-(4-bromo-3-chloro-2-hydroxyphenyl)propanoic acid
CID 84811622
2-amino-2-(2-chloro-6-hydroxy-4-methylphenyl)acetic acid
CID 84784304
2-(2,5-difluoro-4-hydroxyphenyl)propanoic acid
CID 117290622

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-hydroxy-5-methylphenyl)propanoic acid?
The IUPAC name of 2-(2-chloro-3-hydroxy-5-methylphenyl)propanoic acid (CID 117305876) is 2-(2-chloro-3-hydroxy-5-methylphenyl)propanoic acid.
What is the SMILES notation for 2-(2-chloro-3-hydroxy-5-methylphenyl)propanoic acid?
The canonical SMILES for 2-(2-chloro-3-hydroxy-5-methylphenyl)propanoic acid is Cc1cc(O)c(Cl)c(C(C)C(=O)O)c1.
What is the InChIKey of 2-(2-chloro-3-hydroxy-5-methylphenyl)propanoic acid?
The InChIKey is HSSICIPIYYZRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-5-3-7(6(2)10(13)14)9(11)8(12)4-5/h3-4,6,12H,1-2H3,(H,13,14).
What are the key properties of 2-(2-chloro-3-hydroxy-5-methylphenyl)propanoic acid?
2-(2-chloro-3-hydroxy-5-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-3-hydroxy-5-methylphenyl)propanoic acid is sourced from PubChem (CID 117305876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).