4-cyclohex-2-en-1-ylphenol

C12H14O — CID 13414842

IUPAC4-cyclohex-2-en-1-ylphenol
SMILESOc1ccc(C2C=CCCC2)cc1
InChIInChI=1S/C12H14O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h2,4,6-10,13H,1,3,5H2
InChIKeyUKMXDNASRAIBMA-UHFFFAOYSA-N
MW174.24 g/mol
LogP3.22
Rot. Bonds1

About 4-cyclohex-2-en-1-ylphenol

4-cyclohex-2-en-1-ylphenol (PubChem CID 13414842) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 4-cyclohex-2-en-1-ylphenol.

Molecular Properties

Compound Name4-cyclohex-2-en-1-ylphenol
PubChem CID13414842
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name4-cyclohex-2-en-1-ylphenol
SMILESOc1ccc(C2C=CCCC2)cc1
InChIInChI=1S/C12H14O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h2,4,6-10,13H,1,3,5H2
InChIKeyUKMXDNASRAIBMA-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohex-2-en-1-ylphenol?
The IUPAC name of 4-cyclohex-2-en-1-ylphenol (CID 13414842) is 4-cyclohex-2-en-1-ylphenol.
What is the SMILES notation for 4-cyclohex-2-en-1-ylphenol?
The canonical SMILES for 4-cyclohex-2-en-1-ylphenol is Oc1ccc(C2C=CCCC2)cc1.
What is the InChIKey of 4-cyclohex-2-en-1-ylphenol?
The InChIKey is UKMXDNASRAIBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h2,4,6-10,13H,1,3,5H2.
What are the key properties of 4-cyclohex-2-en-1-ylphenol?
4-cyclohex-2-en-1-ylphenol has a molecular weight of 174.24 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohex-2-en-1-ylphenol is sourced from PubChem (CID 13414842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).