2-(3-chloro-4-hydroxy-5-methylphenyl)propanoic acid

C10H11ClO3 — CID 84783600

IUPAC2-(3-chloro-4-hydroxy-5-methylphenyl)propanoic acid
SMILESCc1cc(C(C)C(=O)O)cc(Cl)c1O
InChIInChI=1S/C10H11ClO3/c1-5-3-7(6(2)10(13)14)4-8(11)9(5)12/h3-4,6,12H,1-2H3,(H,13,14)
InChIKeyOENJBBPBKBXTBH-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.54
Rot. Bonds2

About 2-(3-chloro-4-hydroxy-5-methylphenyl)propanoic acid

2-(3-chloro-4-hydroxy-5-methylphenyl)propanoic acid (PubChem CID 84783600) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is 2-(3-chloro-4-hydroxy-5-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(3-chloro-4-hydroxy-5-methylphenyl)propanoic acid
PubChem CID84783600
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name2-(3-chloro-4-hydroxy-5-methylphenyl)propanoic acid
SMILESCc1cc(C(C)C(=O)O)cc(Cl)c1O
InChIInChI=1S/C10H11ClO3/c1-5-3-7(6(2)10(13)14)4-8(11)9(5)12/h3-4,6,12H,1-2H3,(H,13,14)
InChIKeyOENJBBPBKBXTBH-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

4-(1-aminoethyl)-2-chloro-6-methylphenol
CID 84660355
2-acetamido-3-(3-chloro-4-hydroxy-5-methylphenyl)butanoic acid
CID 69064504
2-(5-chloro-2-hydroxy-3,6-dimethylphenyl)propanoic acid
CID 84792444
methyl 2-(3-chloro-4-hydroxy-5-methylphenyl)-2-hydroxyacetate
CID 117333182
3-(3-chloro-4-hydroxy-5-methylphenyl)-3-cyclopropylpropanoic acid
CID 117389808
2-(3-fluoro-4,5-dimethylphenyl)propanoic acid
CID 84773925
2-(4-bromo-3-chloro-5-fluorophenyl)propanoic acid
CID 117452032
2-(3-chloro-4-propan-2-ylphenyl)propanoic acid
CID 84791168
2-amino-1-(3-chloro-4-hydroxy-5-methylphenyl)propan-1-one
CID 84679949
N-[3-(3-chloro-4-hydroxy-5-methylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170829972
1-(3-chloro-4-hydroxy-5-methylphenyl)ethanone
CID 679502
2-(3,4-dimethoxy-5-methylphenyl)propanoic acid
CID 117321873

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-hydroxy-5-methylphenyl)propanoic acid?
The IUPAC name of 2-(3-chloro-4-hydroxy-5-methylphenyl)propanoic acid (CID 84783600) is 2-(3-chloro-4-hydroxy-5-methylphenyl)propanoic acid.
What is the SMILES notation for 2-(3-chloro-4-hydroxy-5-methylphenyl)propanoic acid?
The canonical SMILES for 2-(3-chloro-4-hydroxy-5-methylphenyl)propanoic acid is Cc1cc(C(C)C(=O)O)cc(Cl)c1O.
What is the InChIKey of 2-(3-chloro-4-hydroxy-5-methylphenyl)propanoic acid?
The InChIKey is OENJBBPBKBXTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-5-3-7(6(2)10(13)14)4-8(11)9(5)12/h3-4,6,12H,1-2H3,(H,13,14).
What are the key properties of 2-(3-chloro-4-hydroxy-5-methylphenyl)propanoic acid?
2-(3-chloro-4-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-(3-chloro-4-hydroxy-5-methylphenyl)propanoic acid is sourced from PubChem (CID 84783600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).