5-(1-carboxycyclohexyl)-3-fluoro-2-hydroxybenzoic acid

C14H15FO5 — CID 117453420

IUPAC5-(1-carboxycyclohexyl)-3-fluoro-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(C2(C(=O)O)CCCCC2)cc(F)c1O
InChIInChI=1S/C14H15FO5/c15-10-7-8(6-9(11(10)16)12(17)18)14(13(19)20)4-2-1-3-5-14/h6-7,16H,1-5H2,(H,17,18)(H,19,20)
InChIKeyUGJJFVZXXFQFJW-UHFFFAOYSA-N
MW282.27 g/mol
LogP2.52
Rot. Bonds3

About 5-(1-carboxycyclohexyl)-3-fluoro-2-hydroxybenzoic acid

5-(1-carboxycyclohexyl)-3-fluoro-2-hydroxybenzoic acid (PubChem CID 117453420) has the molecular formula C14H15FO5 and a molecular weight of 282.27 g/mol. Its IUPAC name is 5-(1-carboxycyclohexyl)-3-fluoro-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-(1-carboxycyclohexyl)-3-fluoro-2-hydroxybenzoic acid
PubChem CID117453420
Molecular FormulaC14H15FO5
Molecular Weight282.27 g/mol
Exact Mass282.09
IUPAC Name5-(1-carboxycyclohexyl)-3-fluoro-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(C2(C(=O)O)CCCCC2)cc(F)c1O
InChIInChI=1S/C14H15FO5/c15-10-7-8(6-9(11(10)16)12(17)18)14(13(19)20)4-2-1-3-5-14/h6-7,16H,1-5H2,(H,17,18)(H,19,20)
InChIKeyUGJJFVZXXFQFJW-UHFFFAOYSA-N
XLogP2.52
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-(1-carboxycyclohexyl)-3-fluoro-2-hydroxybenzoic 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

1-(3,5-difluoro-4-hydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117393695
1-(3-fluoro-4-hydroxy-5-methoxycarbonylphenyl)cyclobutane-1-carboxylic acid
CID 117423995
5-[1-(aminomethyl)cyclohexyl]-3-fluoro-2-hydroxybenzoic acid
CID 117421573
5-(1-carboxycyclohexyl)-2,3-dimethylbenzoic acid
CID 117442429
1-(3-fluoro-4-hydroxy-5-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117352802
1-(3-fluoro-4-hydroxyphenyl)cyclopentane-1-carboxylic acid
CID 82617664
1-(3-chloro-5-fluoro-4-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 117333149
1-(3-fluoro-4-methoxy-5-methoxycarbonylphenyl)cyclohexane-1-carboxylic acid
CID 117495291
1-[3-(dimethylamino)-4,5-difluorophenyl]cyclopentane-1-carboxylic acid
CID 117114177
1-(3,4-dihydroxy-5-methylphenyl)cyclopentane-1-carboxylic acid
CID 117344786
5-(1-carboxycyclohexyl)-2-fluoro-4-methylbenzoic acid
CID 117449792
1-(4-bromo-3,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 84811106

Frequently Asked Questions

What is the IUPAC name of 5-(1-carboxycyclohexyl)-3-fluoro-2-hydroxybenzoic acid?
The IUPAC name of 5-(1-carboxycyclohexyl)-3-fluoro-2-hydroxybenzoic acid (CID 117453420) is 5-(1-carboxycyclohexyl)-3-fluoro-2-hydroxybenzoic acid.
What is the SMILES notation for 5-(1-carboxycyclohexyl)-3-fluoro-2-hydroxybenzoic acid?
The canonical SMILES for 5-(1-carboxycyclohexyl)-3-fluoro-2-hydroxybenzoic acid is O=C(O)c1cc(C2(C(=O)O)CCCCC2)cc(F)c1O.
What is the InChIKey of 5-(1-carboxycyclohexyl)-3-fluoro-2-hydroxybenzoic acid?
The InChIKey is UGJJFVZXXFQFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FO5/c15-10-7-8(6-9(11(10)16)12(17)18)14(13(19)20)4-2-1-3-5-14/h6-7,16H,1-5H2,(H,17,18)(H,19,20).
What are the key properties of 5-(1-carboxycyclohexyl)-3-fluoro-2-hydroxybenzoic acid?
5-(1-carboxycyclohexyl)-3-fluoro-2-hydroxybenzoic acid has a molecular weight of 282.27 g/mol, XLogP of 2.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-carboxycyclohexyl)-3-fluoro-2-hydroxybenzoic acid is sourced from PubChem (CID 117453420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).