1-(2-chloro-5-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid

C11H11ClO4 — CID 105425975

IUPAC1-(2-chloro-5-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1cc(Cl)c(C2(C(=O)O)CC2)cc1O
InChIInChI=1S/C11H11ClO4/c1-16-9-5-7(12)6(4-8(9)13)11(2-3-11)10(14)15/h4-5,13H,2-3H2,1H3,(H,14,15)
InChIKeyPNOHDIHIDPJKAX-UHFFFAOYSA-N
MW242.66 g/mol
LogP2.17
Rot. Bonds3

About 1-(2-chloro-5-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid

1-(2-chloro-5-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid (PubChem CID 105425975) has the molecular formula C11H11ClO4 and a molecular weight of 242.66 g/mol. Its IUPAC name is 1-(2-chloro-5-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-chloro-5-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid
PubChem CID105425975
Molecular FormulaC11H11ClO4
Molecular Weight242.66 g/mol
Exact Mass242.03
IUPAC Name1-(2-chloro-5-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1cc(Cl)c(C2(C(=O)O)CC2)cc1O
InChIInChI=1S/C11H11ClO4/c1-16-9-5-7(12)6(4-8(9)13)11(2-3-11)10(14)15/h4-5,13H,2-3H2,1H3,(H,14,15)
InChIKeyPNOHDIHIDPJKAX-UHFFFAOYSA-N
XLogP2.17
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 105424298
1-(5-hydroxy-2,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117348579
1-(2,5-dichloro-4-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117466952
1-(4-hydroxy-2,5-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117383425
1-(2-fluoro-4-hydroxy-5-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117324881
2-[1-(2-chloro-5-hydroxy-4-methoxyphenyl)cyclopropyl]acetic acid
CID 117394939
1-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117478084
1-(5-chloro-2-hydroxy-4-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117394985
1-(5-chloro-2-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 117454399
1-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117495558
1-(5-chloro-2,3-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117394916
1-(5-chloro-2-methoxyphenyl)cycloheptane-1-carboxylic acid
CID 28937782

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2-chloro-5-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid (CID 105425975) is 1-(2-chloro-5-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2-chloro-5-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2-chloro-5-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid is COc1cc(Cl)c(C2(C(=O)O)CC2)cc1O.
What is the InChIKey of 1-(2-chloro-5-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is PNOHDIHIDPJKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO4/c1-16-9-5-7(12)6(4-8(9)13)11(2-3-11)10(14)15/h4-5,13H,2-3H2,1H3,(H,14,15).
What are the key properties of 1-(2-chloro-5-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid?
1-(2-chloro-5-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 242.66 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 105425975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).