2-(3-fluoro-4-methoxyphenyl)-4-methylcyclohexane-1-carboxylic acid

C15H19FO3 — CID 81020800

IUPAC2-(3-fluoro-4-methoxyphenyl)-4-methylcyclohexane-1-carboxylic acid
SMILESCOc1ccc(C2CC(C)CCC2C(=O)O)cc1F
InChIInChI=1S/C15H19FO3/c1-9-3-5-11(15(17)18)12(7-9)10-4-6-14(19-2)13(16)8-10/h4,6,8-9,11-12H,3,5,7H2,1-2H3,(H,17,18)
InChIKeyUAWDCRCSNYOZJT-UHFFFAOYSA-N
MW266.31 g/mol
LogP3.44
Rot. Bonds3

About 2-(3-fluoro-4-methoxyphenyl)-4-methylcyclohexane-1-carboxylic acid

2-(3-fluoro-4-methoxyphenyl)-4-methylcyclohexane-1-carboxylic acid (PubChem CID 81020800) has the molecular formula C15H19FO3 and a molecular weight of 266.31 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-4-methylcyclohexane-1-carboxylic acid
PubChem CID81020800
Molecular FormulaC15H19FO3
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-4-methylcyclohexane-1-carboxylic acid
SMILESCOc1ccc(C2CC(C)CCC2C(=O)O)cc1F
InChIInChI=1S/C15H19FO3/c1-9-3-5-11(15(17)18)12(7-9)10-4-6-14(19-2)13(16)8-10/h4,6,8-9,11-12H,3,5,7H2,1-2H3,(H,17,18)
InChIKeyUAWDCRCSNYOZJT-UHFFFAOYSA-N
XLogP3.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-fluoro-4-methoxyphenyl)-4-methylcyclohexane-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

2-(3-fluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 81009100
trans-(1R,2R)-2-(4-fluoro-3-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 138987329
5-(3-fluoro-4-methoxyphenyl)pyrrolidine-2-carboxylic acid
CID 112693405
2-[(3-fluoro-4-methoxyphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975161
2-(3-fluoro-4-methoxyphenyl)cyclopropane-1-carbaldehyde
CID 20792250
3-(3-fluoro-4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 82159310
2-(3-fluoro-4-methoxyphenyl)cyclopentan-1-amine
CID 62795099
2-[(2,5-difluoro-4-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977022
3-(3-fluoro-4-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine
CID 64909846
2-[4-(3-fluoro-4-methoxyphenyl)phenyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384938
1-[4-amino-3-(3-fluoro-4-methoxyphenyl)piperidin-1-yl]ethanone
CID 82625034
4-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-amine
CID 82612413

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-4-methylcyclohexane-1-carboxylic acid (CID 81020800) is 2-(3-fluoro-4-methoxyphenyl)-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-4-methylcyclohexane-1-carboxylic acid is COc1ccc(C2CC(C)CCC2C(=O)O)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is UAWDCRCSNYOZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO3/c1-9-3-5-11(15(17)18)12(7-9)10-4-6-14(19-2)13(16)8-10/h4,6,8-9,11-12H,3,5,7H2,1-2H3,(H,17,18).
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-4-methylcyclohexane-1-carboxylic acid?
2-(3-fluoro-4-methoxyphenyl)-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 266.31 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 81020800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).