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

C11H11FO4 — CID 117324881

IUPAC1-(2-fluoro-4-hydroxy-5-methoxyphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1cc(C2(C(=O)O)CC2)c(F)cc1O
InChIInChI=1S/C11H11FO4/c1-16-9-4-6(7(12)5-8(9)13)11(2-3-11)10(14)15/h4-5,13H,2-3H2,1H3,(H,14,15)
InChIKeyDNNYNUNHVHWUGU-UHFFFAOYSA-N
MW226.20 g/mol
LogP1.66
Rot. Bonds3

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

1-(2-fluoro-4-hydroxy-5-methoxyphenyl)cyclopropane-1-carboxylic acid (PubChem CID 117324881) has the molecular formula C11H11FO4 and a molecular weight of 226.20 g/mol. Its IUPAC name is 1-(2-fluoro-4-hydroxy-5-methoxyphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluoro-4-hydroxy-5-methoxyphenyl)cyclopropane-1-carboxylic acid
PubChem CID117324881
Molecular FormulaC11H11FO4
Molecular Weight226.20 g/mol
Exact Mass226.06
IUPAC Name1-(2-fluoro-4-hydroxy-5-methoxyphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1cc(C2(C(=O)O)CC2)c(F)cc1O
InChIInChI=1S/C11H11FO4/c1-16-9-4-6(7(12)5-8(9)13)11(2-3-11)10(14)15/h4-5,13H,2-3H2,1H3,(H,14,15)
InChIKeyDNNYNUNHVHWUGU-UHFFFAOYSA-N
XLogP1.66
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-hydroxy-2,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117348579
1-(4-hydroxy-2,5-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117383425
1-(2,5-difluoro-4-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117357150
1-(2-chloro-5-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 105425975
1-(2-fluoro-4-methoxy-5-methylphenyl)cyclohexane-1-carboxylic acid
CID 117419815
1-(2,4-difluoro-5-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 117304967
1-(2-fluoro-4-methoxy-5-methylphenyl)cyclobutane-1-carboxylic acid
CID 117348898
1-(5-chloro-2-fluoro-4-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 84794005
1-(3-fluoro-2-hydroxy-4,5-dimethoxyphenyl)cyclohexane-1-carboxylic acid
CID 117480789
1-(4,5-dimethoxy-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 82496751
1-(5-fluoro-2,3-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117352658
1-(2-hydroxy-5-methoxy-3,4-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 117344803

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-hydroxy-5-methoxyphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2-fluoro-4-hydroxy-5-methoxyphenyl)cyclopropane-1-carboxylic acid (CID 117324881) is 1-(2-fluoro-4-hydroxy-5-methoxyphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2-fluoro-4-hydroxy-5-methoxyphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2-fluoro-4-hydroxy-5-methoxyphenyl)cyclopropane-1-carboxylic acid is COc1cc(C2(C(=O)O)CC2)c(F)cc1O.
What is the InChIKey of 1-(2-fluoro-4-hydroxy-5-methoxyphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is DNNYNUNHVHWUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO4/c1-16-9-4-6(7(12)5-8(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-fluoro-4-hydroxy-5-methoxyphenyl)cyclopropane-1-carboxylic acid?
1-(2-fluoro-4-hydroxy-5-methoxyphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 226.20 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-hydroxy-5-methoxyphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117324881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).