2-cyclohexyl-3-hydroxybenzoic acid

C13H16O3 — CID 141251925

IUPAC2-cyclohexyl-3-hydroxybenzoic acid
SMILESO=C(O)c1cccc(O)c1C1CCCCC1
InChIInChI=1S/C13H16O3/c14-11-8-4-7-10(13(15)16)12(11)9-5-2-1-3-6-9/h4,7-9,14H,1-3,5-6H2,(H,15,16)
InChIKeyPFWCDOMFPGORMF-UHFFFAOYSA-N
MW220.27 g/mol
LogP3.14
Rot. Bonds2

About 2-cyclohexyl-3-hydroxybenzoic acid

2-cyclohexyl-3-hydroxybenzoic acid (PubChem CID 141251925) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-cyclohexyl-3-hydroxybenzoic acid.

Molecular Properties

Compound Name2-cyclohexyl-3-hydroxybenzoic acid
PubChem CID141251925
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name2-cyclohexyl-3-hydroxybenzoic acid
SMILESO=C(O)c1cccc(O)c1C1CCCCC1
InChIInChI=1S/C13H16O3/c14-11-8-4-7-10(13(15)16)12(11)9-5-2-1-3-6-9/h4,7-9,14H,1-3,5-6H2,(H,15,16)
InChIKeyPFWCDOMFPGORMF-UHFFFAOYSA-N
XLogP3.14
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-cyclohexyl-3-hydroxyphenyl)-phenylmethanone;prop-2-enoic acid
CID 174513742
cyclohexylcyclohexane;2-hydroxybenzoic acid
CID 70398658
bis(2-cyclohexyl-3-hydroxyphenyl)methanone;2-cyclohexyl-2-hydroxy-2-phenylacetic acid
CID 175788014
2-cyclopentyl-3-fluorophenol
CID 117104118
3-cyclopentylphthalic acid;phthalic acid
CID 70581040
2-cyclohexyl-3-[2-(2-cyclohexyl-3-hydroxyphenyl)propan-2-yl]phenol
CID 22643834
cyclohexanol;2-methylbenzene-1,3-dicarboxylic acid
CID 174867146
2,3-dicyclohexylphenol;4-phenylphenol
CID 68975565
2-cyclopentylpyridine-3-carboxylic acid
CID 83915500
2-cyclobutyl-3,4-dimethylbenzoic acid
CID 142717985
3-cyclohexyl-2,6-dihydroxybenzoic acid
CID 125490801
bis[2-cyclohexyl-3-(piperidin-1-ylmethyl)phenyl]methanone
CID 73011633

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-hydroxybenzoic acid?
The IUPAC name of 2-cyclohexyl-3-hydroxybenzoic acid (CID 141251925) is 2-cyclohexyl-3-hydroxybenzoic acid.
What is the SMILES notation for 2-cyclohexyl-3-hydroxybenzoic acid?
The canonical SMILES for 2-cyclohexyl-3-hydroxybenzoic acid is O=C(O)c1cccc(O)c1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-3-hydroxybenzoic acid?
The InChIKey is PFWCDOMFPGORMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c14-11-8-4-7-10(13(15)16)12(11)9-5-2-1-3-6-9/h4,7-9,14H,1-3,5-6H2,(H,15,16).
What are the key properties of 2-cyclohexyl-3-hydroxybenzoic acid?
2-cyclohexyl-3-hydroxybenzoic acid has a molecular weight of 220.27 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-hydroxybenzoic acid is sourced from PubChem (CID 141251925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).