1-(2-chloro-3-hydroxy-4-methylphenyl)cyclopropane-1-carboxylic acid

C11H11ClO3 — CID 117325926

IUPAC1-(2-chloro-3-hydroxy-4-methylphenyl)cyclopropane-1-carboxylic acid
SMILESCc1ccc(C2(C(=O)O)CC2)c(Cl)c1O
InChIInChI=1S/C11H11ClO3/c1-6-2-3-7(8(12)9(6)13)11(4-5-11)10(14)15/h2-3,13H,4-5H2,1H3,(H,14,15)
InChIKeyZRIVKMDXHLQCOP-UHFFFAOYSA-N
MW226.66 g/mol
LogP2.47
Rot. Bonds2

About 1-(2-chloro-3-hydroxy-4-methylphenyl)cyclopropane-1-carboxylic acid

1-(2-chloro-3-hydroxy-4-methylphenyl)cyclopropane-1-carboxylic acid (PubChem CID 117325926) has the molecular formula C11H11ClO3 and a molecular weight of 226.66 g/mol. Its IUPAC name is 1-(2-chloro-3-hydroxy-4-methylphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-chloro-3-hydroxy-4-methylphenyl)cyclopropane-1-carboxylic acid
PubChem CID117325926
Molecular FormulaC11H11ClO3
Molecular Weight226.66 g/mol
Exact Mass226.04
IUPAC Name1-(2-chloro-3-hydroxy-4-methylphenyl)cyclopropane-1-carboxylic acid
SMILESCc1ccc(C2(C(=O)O)CC2)c(Cl)c1O
InChIInChI=1S/C11H11ClO3/c1-6-2-3-7(8(12)9(6)13)11(4-5-11)10(14)15/h2-3,13H,4-5H2,1H3,(H,14,15)
InChIKeyZRIVKMDXHLQCOP-UHFFFAOYSA-N
XLogP2.47
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-3-hydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 117425482
1-(3-fluoro-2-hydroxy-4-methylphenyl)cyclopropane-1-carboxylic acid
CID 117299936
1-(2-chloro-3,6-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 84789863
1-(4-chloro-2,3-dihydroxyphenyl)cyclopentane-1-carboxylic acid
CID 117394993
1-(3-chloro-2-methoxy-4,6-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 117389831
1-(3-fluoro-2-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid
CID 117321558
1-(2-chloro-3,6-dimethylphenyl)cyclobutane-1-carboxylic acid
CID 84799391
1-(2,4-dihydroxy-3-methylphenyl)cyclopentane-1-carboxylic acid
CID 117344788
1-(3-hydroxy-2-methoxy-6-methylphenyl)cyclopropane-1-carboxylic acid
CID 117317663
3-[1-(aminomethyl)cyclobutyl]-2-chloro-6-methylphenol
CID 117324591
1-(4-chloro-2-hydroxy-3-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117394988
1-(2,5-dichloroquinolin-6-yl)cyclopropane-1-carboxylic acid
CID 117452951

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-hydroxy-4-methylphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2-chloro-3-hydroxy-4-methylphenyl)cyclopropane-1-carboxylic acid (CID 117325926) is 1-(2-chloro-3-hydroxy-4-methylphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2-chloro-3-hydroxy-4-methylphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2-chloro-3-hydroxy-4-methylphenyl)cyclopropane-1-carboxylic acid is Cc1ccc(C2(C(=O)O)CC2)c(Cl)c1O.
What is the InChIKey of 1-(2-chloro-3-hydroxy-4-methylphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is ZRIVKMDXHLQCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO3/c1-6-2-3-7(8(12)9(6)13)11(4-5-11)10(14)15/h2-3,13H,4-5H2,1H3,(H,14,15).
What are the key properties of 1-(2-chloro-3-hydroxy-4-methylphenyl)cyclopropane-1-carboxylic acid?
1-(2-chloro-3-hydroxy-4-methylphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 226.66 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-hydroxy-4-methylphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117325926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).