1-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxylic acid

C14H17FO2 — CID 117344962

IUPAC1-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxylic acid
SMILESCc1ccc(F)cc1C1(C(=O)O)CCCCC1
InChIInChI=1S/C14H17FO2/c1-10-5-6-11(15)9-12(10)14(13(16)17)7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3,(H,16,17)
InChIKeyZLMURDFARMVCCX-UHFFFAOYSA-N
MW236.29 g/mol
LogP3.42
Rot. Bonds2

About 1-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxylic acid

1-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxylic acid (PubChem CID 117344962) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxylic acid
PubChem CID117344962
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Name1-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxylic acid
SMILESCc1ccc(F)cc1C1(C(=O)O)CCCCC1
InChIInChI=1S/C14H17FO2/c1-10-5-6-11(15)9-12(10)14(13(16)17)7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3,(H,16,17)
InChIKeyZLMURDFARMVCCX-UHFFFAOYSA-N
XLogP3.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-amino-5-fluorophenyl)cycloheptane-1-carboxylic acid
CID 106702511
1-(4,5-difluoro-2-methylphenyl)cyclohexane-1-carboxylic acid
CID 117388740
1-(5-fluoro-2-methylsulfanylphenyl)cyclopentane-1-carboxylic acid
CID 117389251
1-(2-chloro-5-fluorophenyl)cyclopentane-1-carboxylic acid
CID 82622172
1-(2,5-dimethylphenyl)cyclobutane-1-carboxylic acid
CID 82609045
1-(5-fluoro-2-methoxy-3-methylphenyl)cyclohexane-1-carboxylic acid
CID 117419827
1-(4-fluoro-2-formylphenyl)cyclohexane-1-carboxylic acid
CID 117378661
1-(2-bromo-5-fluorophenyl)cyclobutane-1-carboxylic acid
CID 117434876
5-(1-carboxycyclohexyl)-2-fluoro-4-methylbenzoic acid
CID 117449792
1-(5-fluoro-4-hydroxy-2-methylphenyl)cyclopentane-1-carboxylic acid
CID 84799147
4-fluoro-1-methyl-2-(1-methylcyclohexyl)benzene
CID 123739587
1-(2-cyclobutyloxy-5-fluorophenyl)cyclohexane-1-carboxylic acid
CID 117472089

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxylic acid (CID 117344962) is 1-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxylic acid is Cc1ccc(F)cc1C1(C(=O)O)CCCCC1.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxylic acid?
The InChIKey is ZLMURDFARMVCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO2/c1-10-5-6-11(15)9-12(10)14(13(16)17)7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3,(H,16,17).
What are the key properties of 1-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxylic acid?
1-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxylic acid has a molecular weight of 236.29 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117344962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).