1-(4-fluoro-2-hydroxy-6-methoxyphenyl)cyclohexane-1-carboxylic acid

C14H17FO4 — CID 117424298

IUPAC1-(4-fluoro-2-hydroxy-6-methoxyphenyl)cyclohexane-1-carboxylic acid
SMILESCOc1cc(F)cc(O)c1C1(C(=O)O)CCCCC1
InChIInChI=1S/C14H17FO4/c1-19-11-8-9(15)7-10(16)12(11)14(13(17)18)5-3-2-4-6-14/h7-8,16H,2-6H2,1H3,(H,17,18)
InChIKeySAFRMFDHNKYWOL-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.83
Rot. Bonds3

About 1-(4-fluoro-2-hydroxy-6-methoxyphenyl)cyclohexane-1-carboxylic acid

1-(4-fluoro-2-hydroxy-6-methoxyphenyl)cyclohexane-1-carboxylic acid (PubChem CID 117424298) has the molecular formula C14H17FO4 and a molecular weight of 268.28 g/mol. Its IUPAC name is 1-(4-fluoro-2-hydroxy-6-methoxyphenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluoro-2-hydroxy-6-methoxyphenyl)cyclohexane-1-carboxylic acid
PubChem CID117424298
Molecular FormulaC14H17FO4
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Name1-(4-fluoro-2-hydroxy-6-methoxyphenyl)cyclohexane-1-carboxylic acid
SMILESCOc1cc(F)cc(O)c1C1(C(=O)O)CCCCC1
InChIInChI=1S/C14H17FO4/c1-19-11-8-9(15)7-10(16)12(11)14(13(17)18)5-3-2-4-6-14/h7-8,16H,2-6H2,1H3,(H,17,18)
InChIKeySAFRMFDHNKYWOL-UHFFFAOYSA-N
XLogP2.83
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]cyclobutane-1-carboxylic acid
CID 117424259
5-fluoro-2-(1-hydroxycyclopropyl)-3-methoxyphenol
CID 117287688
1-(2-fluoro-4-hydroxy-5-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117324881
1-(2,6-difluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117393686
1-(2,6-difluoro-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117393652
1-(4-hydroxy-2-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid
CID 117344763
1-(6-chloro-2-fluoro-3-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117462402
1-(3-fluoro-2-hydroxy-4,5-dimethoxyphenyl)cyclohexane-1-carboxylic acid
CID 117480789
1-(5-fluoro-2,3-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117352658
1-(4-hydroxy-2,5-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117383425
1-(2-fluoro-3,6-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117388593
1-(5-fluoro-2-methoxy-3-methylphenyl)cyclohexane-1-carboxylic acid
CID 117419827

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-hydroxy-6-methoxyphenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(4-fluoro-2-hydroxy-6-methoxyphenyl)cyclohexane-1-carboxylic acid (CID 117424298) is 1-(4-fluoro-2-hydroxy-6-methoxyphenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(4-fluoro-2-hydroxy-6-methoxyphenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(4-fluoro-2-hydroxy-6-methoxyphenyl)cyclohexane-1-carboxylic acid is COc1cc(F)cc(O)c1C1(C(=O)O)CCCCC1.
What is the InChIKey of 1-(4-fluoro-2-hydroxy-6-methoxyphenyl)cyclohexane-1-carboxylic acid?
The InChIKey is SAFRMFDHNKYWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO4/c1-19-11-8-9(15)7-10(16)12(11)14(13(17)18)5-3-2-4-6-14/h7-8,16H,2-6H2,1H3,(H,17,18).
What are the key properties of 1-(4-fluoro-2-hydroxy-6-methoxyphenyl)cyclohexane-1-carboxylic acid?
1-(4-fluoro-2-hydroxy-6-methoxyphenyl)cyclohexane-1-carboxylic acid has a molecular weight of 268.28 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-hydroxy-6-methoxyphenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117424298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).