1-(3-fluoro-2-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid

C12H13FO3 — CID 117321558

IUPAC1-(3-fluoro-2-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1c(C2(C(=O)O)CC2)ccc(C)c1F
InChIInChI=1S/C12H13FO3/c1-7-3-4-8(10(16-2)9(7)13)12(5-6-12)11(14)15/h3-4H,5-6H2,1-2H3,(H,14,15)
InChIKeyAFSQMJJOLMCXEV-UHFFFAOYSA-N
MW224.23 g/mol
LogP2.26
Rot. Bonds3

About 1-(3-fluoro-2-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid

1-(3-fluoro-2-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid (PubChem CID 117321558) has the molecular formula C12H13FO3 and a molecular weight of 224.23 g/mol. Its IUPAC name is 1-(3-fluoro-2-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-fluoro-2-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid
PubChem CID117321558
Molecular FormulaC12H13FO3
Molecular Weight224.23 g/mol
Exact Mass224.08
IUPAC Name1-(3-fluoro-2-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1c(C2(C(=O)O)CC2)ccc(C)c1F
InChIInChI=1S/C12H13FO3/c1-7-3-4-8(10(16-2)9(7)13)12(5-6-12)11(14)15/h3-4H,5-6H2,1-2H3,(H,14,15)
InChIKeyAFSQMJJOLMCXEV-UHFFFAOYSA-N
XLogP2.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-2-hydroxy-4-methylphenyl)cyclopropane-1-carboxylic acid
CID 117299936
1-(4-fluoro-3-methoxy-2,5-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 84799155
1-(3,4-difluoro-2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117428788
1-(4-chloro-3-fluoro-2-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117434480
1-(4-fluoro-2,3-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117388602
1-(3-hydroxy-2-methoxy-6-methylphenyl)cyclopropane-1-carboxylic acid
CID 117317663
1-(2-fluoro-6-methoxy-3,5-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 84799157
1-(3-fluoro-2-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117490420
1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117466659
1-(2-fluoro-3,4-dimethoxy-5-methylphenyl)cyclohexane-1-carboxylic acid
CID 117477551
1-(5-chloro-2,3-difluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117411320
1-(4-bromo-2-fluoro-3-methylphenyl)cyclopropane-1-carboxylic acid
CID 117434862

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(3-fluoro-2-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid (CID 117321558) is 1-(3-fluoro-2-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(3-fluoro-2-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(3-fluoro-2-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid is COc1c(C2(C(=O)O)CC2)ccc(C)c1F.
What is the InChIKey of 1-(3-fluoro-2-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is AFSQMJJOLMCXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO3/c1-7-3-4-8(10(16-2)9(7)13)12(5-6-12)11(14)15/h3-4H,5-6H2,1-2H3,(H,14,15).
What are the key properties of 1-(3-fluoro-2-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid?
1-(3-fluoro-2-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 224.23 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117321558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).