1-(2-fluoro-4-methoxy-5-methylphenyl)cyclobutane-1-carboxylic acid

C13H15FO3 — CID 117348898

IUPAC1-(2-fluoro-4-methoxy-5-methylphenyl)cyclobutane-1-carboxylic acid
SMILESCOc1cc(F)c(C2(C(=O)O)CCC2)cc1C
InChIInChI=1S/C13H15FO3/c1-8-6-9(10(14)7-11(8)17-2)13(12(15)16)4-3-5-13/h6-7H,3-5H2,1-2H3,(H,15,16)
InChIKeyZYGHXBRSRGYFQP-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.65
Rot. Bonds3

About 1-(2-fluoro-4-methoxy-5-methylphenyl)cyclobutane-1-carboxylic acid

1-(2-fluoro-4-methoxy-5-methylphenyl)cyclobutane-1-carboxylic acid (PubChem CID 117348898) has the molecular formula C13H15FO3 and a molecular weight of 238.26 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxy-5-methylphenyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxy-5-methylphenyl)cyclobutane-1-carboxylic acid
PubChem CID117348898
Molecular FormulaC13H15FO3
Molecular Weight238.26 g/mol
Exact Mass238.10
IUPAC Name1-(2-fluoro-4-methoxy-5-methylphenyl)cyclobutane-1-carboxylic acid
SMILESCOc1cc(F)c(C2(C(=O)O)CCC2)cc1C
InChIInChI=1S/C13H15FO3/c1-8-6-9(10(14)7-11(8)17-2)13(12(15)16)4-3-5-13/h6-7H,3-5H2,1-2H3,(H,15,16)
InChIKeyZYGHXBRSRGYFQP-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-fluoro-4-methoxy-5-methylphenyl)cyclobutane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-fluoro-4-methoxy-5-methylphenyl)cyclohexane-1-carboxylic acid
CID 117419815
1-(2,5-difluoro-4-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117357150
1-(2-fluoro-4-hydroxy-5-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117324881
5-(1-carboxycyclobutyl)-4-fluoro-2-methylbenzoic acid
CID 117383281
1-(5-fluoro-3,4-dimethoxy-2-methylphenyl)cyclopentane-1-carboxylic acid
CID 117453646
1-(2-fluoro-3,4-dimethoxy-5-methylphenyl)cyclohexane-1-carboxylic acid
CID 117477551
1-(5-bromo-4-methoxy-2-methylphenyl)cyclobutane-1-carboxylic acid
CID 117481809
1-(4-fluoro-3-methoxy-2,5-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 84799155
1-(2,3-dimethoxy-5-methylphenyl)cyclobutane-1-carboxylic acid
CID 117379031
1-(4-fluoro-2-formyl-5-methylphenyl)cyclobutane-1-carboxylic acid
CID 117344418
1-(4-fluoro-2,3-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117388602
1-(3-fluoro-2-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117490420

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxy-5-methylphenyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(2-fluoro-4-methoxy-5-methylphenyl)cyclobutane-1-carboxylic acid (CID 117348898) is 1-(2-fluoro-4-methoxy-5-methylphenyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(2-fluoro-4-methoxy-5-methylphenyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(2-fluoro-4-methoxy-5-methylphenyl)cyclobutane-1-carboxylic acid is COc1cc(F)c(C2(C(=O)O)CCC2)cc1C.
What is the InChIKey of 1-(2-fluoro-4-methoxy-5-methylphenyl)cyclobutane-1-carboxylic acid?
The InChIKey is ZYGHXBRSRGYFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO3/c1-8-6-9(10(14)7-11(8)17-2)13(12(15)16)4-3-5-13/h6-7H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 1-(2-fluoro-4-methoxy-5-methylphenyl)cyclobutane-1-carboxylic acid?
1-(2-fluoro-4-methoxy-5-methylphenyl)cyclobutane-1-carboxylic acid has a molecular weight of 238.26 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methoxy-5-methylphenyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 117348898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).