1-(5-fluoro-2-methoxy-3-methylphenyl)cyclohexane-1-carboxylic acid

C15H19FO3 — CID 117419827

IUPAC1-(5-fluoro-2-methoxy-3-methylphenyl)cyclohexane-1-carboxylic acid
SMILESCOc1c(C)cc(F)cc1C1(C(=O)O)CCCCC1
InChIInChI=1S/C15H19FO3/c1-10-8-11(16)9-12(13(10)19-2)15(14(17)18)6-4-3-5-7-15/h8-9H,3-7H2,1-2H3,(H,17,18)
InChIKeyRFFDWFWFMFWUEB-UHFFFAOYSA-N
MW266.31 g/mol
LogP3.43
Rot. Bonds3

About 1-(5-fluoro-2-methoxy-3-methylphenyl)cyclohexane-1-carboxylic acid

1-(5-fluoro-2-methoxy-3-methylphenyl)cyclohexane-1-carboxylic acid (PubChem CID 117419827) has the molecular formula C15H19FO3 and a molecular weight of 266.31 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxy-3-methylphenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxy-3-methylphenyl)cyclohexane-1-carboxylic acid
PubChem CID117419827
Molecular FormulaC15H19FO3
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name1-(5-fluoro-2-methoxy-3-methylphenyl)cyclohexane-1-carboxylic acid
SMILESCOc1c(C)cc(F)cc1C1(C(=O)O)CCCCC1
InChIInChI=1S/C15H19FO3/c1-10-8-11(16)9-12(13(10)19-2)15(14(17)18)6-4-3-5-7-15/h8-9H,3-7H2,1-2H3,(H,17,18)
InChIKeyRFFDWFWFMFWUEB-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-difluoro-2-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117393688
1-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)cyclohexane-1-carboxylic acid
CID 117480935
1-(2-fluoro-3,4-dimethoxy-5-methylphenyl)cyclohexane-1-carboxylic acid
CID 117477551
1-[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]cyclohexane-1-carboxylic acid
CID 117486934
1-(5-fluoro-2,3-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117352658
1-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxylic acid
CID 117344962
1-(2-fluoro-4-methoxy-5-methylphenyl)cyclohexane-1-carboxylic acid
CID 117419815
1-(5-fluoro-3,4-dimethoxy-2-methylphenyl)cyclopentane-1-carboxylic acid
CID 117453646
1-(5-chloro-2,3-dimethoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 117497845
1-(3-chloro-2-methoxy-5-methylphenyl)cyclohexane-1-carboxylic acid
CID 117454417
1-(4,5-difluoro-2-methylphenyl)cyclohexane-1-carboxylic acid
CID 117388740
1-(5-fluoro-2-hydroxy-3-methylphenyl)cyclopropane-1-carboxylic acid
CID 117299943

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxy-3-methylphenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(5-fluoro-2-methoxy-3-methylphenyl)cyclohexane-1-carboxylic acid (CID 117419827) is 1-(5-fluoro-2-methoxy-3-methylphenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(5-fluoro-2-methoxy-3-methylphenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(5-fluoro-2-methoxy-3-methylphenyl)cyclohexane-1-carboxylic acid is COc1c(C)cc(F)cc1C1(C(=O)O)CCCCC1.
What is the InChIKey of 1-(5-fluoro-2-methoxy-3-methylphenyl)cyclohexane-1-carboxylic acid?
The InChIKey is RFFDWFWFMFWUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO3/c1-10-8-11(16)9-12(13(10)19-2)15(14(17)18)6-4-3-5-7-15/h8-9H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 1-(5-fluoro-2-methoxy-3-methylphenyl)cyclohexane-1-carboxylic acid?
1-(5-fluoro-2-methoxy-3-methylphenyl)cyclohexane-1-carboxylic acid has a molecular weight of 266.31 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxy-3-methylphenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117419827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).