1-(2-fluoro-6-methoxy-3,5-dimethylphenyl)cyclopropane-1-carboxylic acid

C13H15FO3 — CID 84799157

IUPAC1-(2-fluoro-6-methoxy-3,5-dimethylphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1c(C)cc(C)c(F)c1C1(C(=O)O)CC1
InChIInChI=1S/C13H15FO3/c1-7-6-8(2)11(17-3)9(10(7)14)13(4-5-13)12(15)16/h6H,4-5H2,1-3H3,(H,15,16)
InChIKeyVEFQVVRKIBWOJW-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.57
Rot. Bonds3

About 1-(2-fluoro-6-methoxy-3,5-dimethylphenyl)cyclopropane-1-carboxylic acid

1-(2-fluoro-6-methoxy-3,5-dimethylphenyl)cyclopropane-1-carboxylic acid (PubChem CID 84799157) has the molecular formula C13H15FO3 and a molecular weight of 238.26 g/mol. Its IUPAC name is 1-(2-fluoro-6-methoxy-3,5-dimethylphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluoro-6-methoxy-3,5-dimethylphenyl)cyclopropane-1-carboxylic acid
PubChem CID84799157
Molecular FormulaC13H15FO3
Molecular Weight238.26 g/mol
Exact Mass238.10
IUPAC Name1-(2-fluoro-6-methoxy-3,5-dimethylphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1c(C)cc(C)c(F)c1C1(C(=O)O)CC1
InChIInChI=1S/C13H15FO3/c1-7-6-8(2)11(17-3)9(10(7)14)13(4-5-13)12(15)16/h6H,4-5H2,1-3H3,(H,15,16)
InChIKeyVEFQVVRKIBWOJW-UHFFFAOYSA-N
XLogP2.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-3-methoxy-2,5-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 84799155
1-(2-fluoro-3,4-dimethoxy-5-methylphenyl)cyclohexane-1-carboxylic acid
CID 117477551
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-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopropane-1-carboxylic acid
CID 117469962
1-(5-fluoro-2-methoxy-3-methylphenyl)cyclohexane-1-carboxylic acid
CID 117419827
1-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)cyclopropane-1-carboxylic acid
CID 117400321
1-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)cyclopropane-1-carboxylic acid
CID 117373348
1-(4-fluoro-2,5-dimethoxy-3,6-dimethylphenyl)cyclohexane-1-carboxylic acid
CID 117495343
1-(4-fluoro-2-hydroxy-3-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid
CID 117388603
1-(3-chloro-2,5-difluoro-6-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117469702
1-(2-fluoro-6-hydroxy-3-methylphenyl)cyclopropane-1-carboxylic acid
CID 84781133

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-methoxy-3,5-dimethylphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2-fluoro-6-methoxy-3,5-dimethylphenyl)cyclopropane-1-carboxylic acid (CID 84799157) is 1-(2-fluoro-6-methoxy-3,5-dimethylphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2-fluoro-6-methoxy-3,5-dimethylphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2-fluoro-6-methoxy-3,5-dimethylphenyl)cyclopropane-1-carboxylic acid is COc1c(C)cc(C)c(F)c1C1(C(=O)O)CC1.
What is the InChIKey of 1-(2-fluoro-6-methoxy-3,5-dimethylphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is VEFQVVRKIBWOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO3/c1-7-6-8(2)11(17-3)9(10(7)14)13(4-5-13)12(15)16/h6H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 1-(2-fluoro-6-methoxy-3,5-dimethylphenyl)cyclopropane-1-carboxylic acid?
1-(2-fluoro-6-methoxy-3,5-dimethylphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 238.26 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-methoxy-3,5-dimethylphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 84799157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).