3-(2-cyclohexylethyl)-2-hydroxybenzoic acid

C15H20O3 — CID 54291204

IUPAC3-(2-cyclohexylethyl)-2-hydroxybenzoic acid
SMILESO=C(O)c1cccc(CCC2CCCCC2)c1O
InChIInChI=1S/C15H20O3/c16-14-12(7-4-8-13(14)15(17)18)10-9-11-5-2-1-3-6-11/h4,7-8,11,16H,1-3,5-6,9-10H2,(H,17,18)
InChIKeyRXQDAUJRCOKENJ-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.60
Rot. Bonds4

About 3-(2-cyclohexylethyl)-2-hydroxybenzoic acid

3-(2-cyclohexylethyl)-2-hydroxybenzoic acid (PubChem CID 54291204) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 3-(2-cyclohexylethyl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name3-(2-cyclohexylethyl)-2-hydroxybenzoic acid
PubChem CID54291204
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name3-(2-cyclohexylethyl)-2-hydroxybenzoic acid
SMILESO=C(O)c1cccc(CCC2CCCCC2)c1O
InChIInChI=1S/C15H20O3/c16-14-12(7-4-8-13(14)15(17)18)10-9-11-5-2-1-3-6-11/h4,7-8,11,16H,1-3,5-6,9-10H2,(H,17,18)
InChIKeyRXQDAUJRCOKENJ-UHFFFAOYSA-N
XLogP3.60
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-cyclopentylethyl)phenol
CID 57085599
3-butyl-2-hydroxybenzoic acid
CID 18681512
3-heptyl-2-hydroxybenzoic acid
CID 67845198
4-(cyclohexylmethyl)benzene-1,3-dicarboxylic acid
CID 174566304
1-[2-(4-cyclohexylbutyl)phenyl]ethanone
CID 102374896
2-(2-cyclobutylethoxymethyl)benzoic acid
CID 106199375
4-amino-5-(2-cyclohexylethyl)-2-methylquinoline-3-carboxylic acid
CID 134386052
1-chloro-2-(2-cyclohexylethyl)benzene
CID 57280256
2-(cycloheptylmethyl)-1,3-benzoxazole-4-carboxylic acid
CID 114459427
3-[(3-acetyl-2-hydroxyphenyl)methyl]-2-hydroxybenzoic acid
CID 67076238
2-cyclohexyl-3-hydroxybenzoic acid
CID 141251925
4-(cyclopentylmethyl)benzene-1,3-dicarboxylic acid
CID 174778567

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexylethyl)-2-hydroxybenzoic acid?
The IUPAC name of 3-(2-cyclohexylethyl)-2-hydroxybenzoic acid (CID 54291204) is 3-(2-cyclohexylethyl)-2-hydroxybenzoic acid.
What is the SMILES notation for 3-(2-cyclohexylethyl)-2-hydroxybenzoic acid?
The canonical SMILES for 3-(2-cyclohexylethyl)-2-hydroxybenzoic acid is O=C(O)c1cccc(CCC2CCCCC2)c1O.
What is the InChIKey of 3-(2-cyclohexylethyl)-2-hydroxybenzoic acid?
The InChIKey is RXQDAUJRCOKENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c16-14-12(7-4-8-13(14)15(17)18)10-9-11-5-2-1-3-6-11/h4,7-8,11,16H,1-3,5-6,9-10H2,(H,17,18).
What are the key properties of 3-(2-cyclohexylethyl)-2-hydroxybenzoic acid?
3-(2-cyclohexylethyl)-2-hydroxybenzoic acid has a molecular weight of 248.32 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexylethyl)-2-hydroxybenzoic acid is sourced from PubChem (CID 54291204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).