3-(4-chloro-2-hydroxyphenyl)-2-methylpropanoic acid

C10H11ClO3 — CID 131365879

IUPAC3-(4-chloro-2-hydroxyphenyl)-2-methylpropanoic acid
SMILESCC(Cc1ccc(Cl)cc1O)C(=O)O
InChIInChI=1S/C10H11ClO3/c1-6(10(13)14)4-7-2-3-8(11)5-9(7)12/h2-3,5-6,12H,4H2,1H3,(H,13,14)
InChIKeyLSNQCOKTWLJEIS-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.31
Rot. Bonds3

About 3-(4-chloro-2-hydroxyphenyl)-2-methylpropanoic acid

3-(4-chloro-2-hydroxyphenyl)-2-methylpropanoic acid (PubChem CID 131365879) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is 3-(4-chloro-2-hydroxyphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(4-chloro-2-hydroxyphenyl)-2-methylpropanoic acid
PubChem CID131365879
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name3-(4-chloro-2-hydroxyphenyl)-2-methylpropanoic acid
SMILESCC(Cc1ccc(Cl)cc1O)C(=O)O
InChIInChI=1S/C10H11ClO3/c1-6(10(13)14)4-7-2-3-8(11)5-9(7)12/h2-3,5-6,12H,4H2,1H3,(H,13,14)
InChIKeyLSNQCOKTWLJEIS-UHFFFAOYSA-N
XLogP2.31
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chloro-2-fluorophenyl)-2-methylpropanoic acid
CID 83402731
2-amino-3-(4-chloro-2-hydroxyphenyl)propanoic acid
CID 82613831
3-(2-hydroxy-4-methylsulfanylphenyl)-2-methylpropanoic acid
CID 117325705
3-[2-(2-amino-2-carboxyethyl)-4-chlorophenyl]-2-methylpropanoic acid
CID 18956360
2-(2-aminopropyl)-5-chlorophenol
CID 83697150
3-(2,5-difluoro-4-hydroxyphenyl)-2-methylpropanoic acid
CID 117307767
3-(2,3-difluoro-4-hydroxyphenyl)-2-methylpropanoic acid
CID 117307764
3-(2-hydroxy-4,5-dimethylphenyl)-2-methylpropanoic acid
CID 131600841
3-(3-bromo-2,4-difluorophenyl)-2-methylpropanoic acid
CID 84811503
3-(2-chlorothiophen-3-yl)-2-methylpropanoic acid
CID 130640023
3-(2-bromo-4-chloro-3-fluorophenyl)-2-methylpropanoic acid
CID 117476290
(2R)-3-(2-chlorophenyl)-2-methylpropanoic acid
CID 40999440

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-hydroxyphenyl)-2-methylpropanoic acid?
The IUPAC name of 3-(4-chloro-2-hydroxyphenyl)-2-methylpropanoic acid (CID 131365879) is 3-(4-chloro-2-hydroxyphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(4-chloro-2-hydroxyphenyl)-2-methylpropanoic acid?
The canonical SMILES for 3-(4-chloro-2-hydroxyphenyl)-2-methylpropanoic acid is CC(Cc1ccc(Cl)cc1O)C(=O)O.
What is the InChIKey of 3-(4-chloro-2-hydroxyphenyl)-2-methylpropanoic acid?
The InChIKey is LSNQCOKTWLJEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-6(10(13)14)4-7-2-3-8(11)5-9(7)12/h2-3,5-6,12H,4H2,1H3,(H,13,14).
What are the key properties of 3-(4-chloro-2-hydroxyphenyl)-2-methylpropanoic acid?
3-(4-chloro-2-hydroxyphenyl)-2-methylpropanoic acid has a molecular weight of 214.65 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-hydroxyphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 131365879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).