3-(2-cyclohex-2-en-1-ylethynyl)phenol

C14H14O — CID 154717764

IUPAC3-(2-cyclohex-2-en-1-ylethynyl)phenol
SMILESOc1cccc(C#CC2C=CCCC2)c1
InChIInChI=1S/C14H14O/c15-14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h2,4-5,7-8,11-12,15H,1,3,6H2
InChIKeyHTXUXYQCVBJHOD-UHFFFAOYSA-N
MW198.27 g/mol
LogP3.10
Rot. Bonds

About 3-(2-cyclohex-2-en-1-ylethynyl)phenol

3-(2-cyclohex-2-en-1-ylethynyl)phenol (PubChem CID 154717764) has the molecular formula C14H14O and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-(2-cyclohex-2-en-1-ylethynyl)phenol.

Molecular Properties

Compound Name3-(2-cyclohex-2-en-1-ylethynyl)phenol
PubChem CID154717764
Molecular FormulaC14H14O
Molecular Weight198.27 g/mol
Exact Mass198.10
IUPAC Name3-(2-cyclohex-2-en-1-ylethynyl)phenol
SMILESOc1cccc(C#CC2C=CCCC2)c1
InChIInChI=1S/C14H14O/c15-14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h2,4-5,7-8,11-12,15H,1,3,6H2
InChIKeyHTXUXYQCVBJHOD-UHFFFAOYSA-N
XLogP3.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohex-2-en-1-ylethynyl)phenol?
The IUPAC name of 3-(2-cyclohex-2-en-1-ylethynyl)phenol (CID 154717764) is 3-(2-cyclohex-2-en-1-ylethynyl)phenol.
What is the SMILES notation for 3-(2-cyclohex-2-en-1-ylethynyl)phenol?
The canonical SMILES for 3-(2-cyclohex-2-en-1-ylethynyl)phenol is Oc1cccc(C#CC2C=CCCC2)c1.
What is the InChIKey of 3-(2-cyclohex-2-en-1-ylethynyl)phenol?
The InChIKey is HTXUXYQCVBJHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O/c15-14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h2,4-5,7-8,11-12,15H,1,3,6H2.
What are the key properties of 3-(2-cyclohex-2-en-1-ylethynyl)phenol?
3-(2-cyclohex-2-en-1-ylethynyl)phenol has a molecular weight of 198.27 g/mol, XLogP of 3.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohex-2-en-1-ylethynyl)phenol is sourced from PubChem (CID 154717764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).