3-cyclohexylphenol

C12H16O — CID 16036

IUPAC3-cyclohexylphenol
SMILESOc1cccc(C2CCCCC2)c1
InChIInChI=1S/C12H16O/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h4,7-10,13H,1-3,5-6H2
InChIKeyWFKNYMUYMWAGCV-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.44
Rot. Bonds1

About 3-cyclohexylphenol

3-cyclohexylphenol (PubChem CID 16036) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 3-cyclohexylphenol.

Molecular Properties

Compound Name3-cyclohexylphenol
PubChem CID16036
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name3-cyclohexylphenol
SMILESOc1cccc(C2CCCCC2)c1
InChIInChI=1S/C12H16O/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h4,7-10,13H,1-3,5-6H2
InChIKeyWFKNYMUYMWAGCV-UHFFFAOYSA-N
XLogP3.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylphenol?
The IUPAC name of 3-cyclohexylphenol (CID 16036) is 3-cyclohexylphenol.
What is the SMILES notation for 3-cyclohexylphenol?
The canonical SMILES for 3-cyclohexylphenol is Oc1cccc(C2CCCCC2)c1.
What is the InChIKey of 3-cyclohexylphenol?
The InChIKey is WFKNYMUYMWAGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h4,7-10,13H,1-3,5-6H2.
What are the key properties of 3-cyclohexylphenol?
3-cyclohexylphenol has a molecular weight of 176.26 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylphenol is sourced from PubChem (CID 16036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).