1-(4-fluoro-2,5-dihydroxyphenyl)cyclohexane-1-carboxylic acid

C13H15FO4 — CID 117388630

IUPAC1-(4-fluoro-2,5-dihydroxyphenyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(O)c(F)cc2O)CCCCC1
InChIInChI=1S/C13H15FO4/c14-9-7-10(15)8(6-11(9)16)13(12(17)18)4-2-1-3-5-13/h6-7,15-16H,1-5H2,(H,17,18)
InChIKeyHZMYGADLJKXPMD-UHFFFAOYSA-N
MW254.26 g/mol
LogP2.52
Rot. Bonds2

About 1-(4-fluoro-2,5-dihydroxyphenyl)cyclohexane-1-carboxylic acid

1-(4-fluoro-2,5-dihydroxyphenyl)cyclohexane-1-carboxylic acid (PubChem CID 117388630) has the molecular formula C13H15FO4 and a molecular weight of 254.26 g/mol. Its IUPAC name is 1-(4-fluoro-2,5-dihydroxyphenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluoro-2,5-dihydroxyphenyl)cyclohexane-1-carboxylic acid
PubChem CID117388630
Molecular FormulaC13H15FO4
Molecular Weight254.26 g/mol
Exact Mass254.10
IUPAC Name1-(4-fluoro-2,5-dihydroxyphenyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(O)c(F)cc2O)CCCCC1
InChIInChI=1S/C13H15FO4/c14-9-7-10(15)8(6-11(9)16)13(12(17)18)4-2-1-3-5-13/h6-7,15-16H,1-5H2,(H,17,18)
InChIKeyHZMYGADLJKXPMD-UHFFFAOYSA-N
XLogP2.52
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluoro-2,5-dihydroxyphenyl)cyclopropane-1-carboxylic acid
CID 117302547
1-(2,4-difluoro-5-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 117304967
1-(5-fluoro-4-hydroxy-2-methylphenyl)cyclopentane-1-carboxylic acid
CID 84799147
1-(2,5-dihydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 117378800
5-(1-carboxycyclohexyl)-2,4-dihydroxybenzoic acid
CID 117449718
1-(6-hydroxy-1,3-dihydro-2-benzofuran-5-yl)cyclohexane-1-carboxylic acid
CID 117410085
1-(6-hydroxy-1,3-benzodioxol-5-yl)cyclohexane-1-carboxylic acid
CID 117414750
1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)cyclohexane-1-carboxylic acid
CID 117445875
1-(4,5-difluoro-2-methylphenyl)cyclohexane-1-carboxylic acid
CID 117388740
1-(3-fluoro-4-hydroxyphenyl)cyclopentane-1-carboxylic acid
CID 82617664
1-(3,5-difluoro-4-hydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117393695
1-(4-chloro-2,5-difluorophenyl)cyclohexane-1-carboxylic acid
CID 117439170

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2,5-dihydroxyphenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(4-fluoro-2,5-dihydroxyphenyl)cyclohexane-1-carboxylic acid (CID 117388630) is 1-(4-fluoro-2,5-dihydroxyphenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(4-fluoro-2,5-dihydroxyphenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(4-fluoro-2,5-dihydroxyphenyl)cyclohexane-1-carboxylic acid is O=C(O)C1(c2cc(O)c(F)cc2O)CCCCC1.
What is the InChIKey of 1-(4-fluoro-2,5-dihydroxyphenyl)cyclohexane-1-carboxylic acid?
The InChIKey is HZMYGADLJKXPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO4/c14-9-7-10(15)8(6-11(9)16)13(12(17)18)4-2-1-3-5-13/h6-7,15-16H,1-5H2,(H,17,18).
What are the key properties of 1-(4-fluoro-2,5-dihydroxyphenyl)cyclohexane-1-carboxylic acid?
1-(4-fluoro-2,5-dihydroxyphenyl)cyclohexane-1-carboxylic acid has a molecular weight of 254.26 g/mol, XLogP of 2.52, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2,5-dihydroxyphenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117388630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).