2-(2-cyclohexylethynyl)phenol

C14H16O — CID 57038623

IUPAC2-(2-cyclohexylethynyl)phenol
SMILESOc1ccccc1C#CC1CCCCC1
InChIInChI=1S/C14H16O/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h4-5,8-9,12,15H,1-3,6-7H2
InChIKeyDISRMQXXDYZVJY-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.32
Rot. Bonds

About 2-(2-cyclohexylethynyl)phenol

2-(2-cyclohexylethynyl)phenol (PubChem CID 57038623) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(2-cyclohexylethynyl)phenol.

Molecular Properties

Compound Name2-(2-cyclohexylethynyl)phenol
PubChem CID57038623
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name2-(2-cyclohexylethynyl)phenol
SMILESOc1ccccc1C#CC1CCCCC1
InChIInChI=1S/C14H16O/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h4-5,8-9,12,15H,1-3,6-7H2
InChIKeyDISRMQXXDYZVJY-UHFFFAOYSA-N
XLogP3.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylethynyl)phenol?
The IUPAC name of 2-(2-cyclohexylethynyl)phenol (CID 57038623) is 2-(2-cyclohexylethynyl)phenol.
What is the SMILES notation for 2-(2-cyclohexylethynyl)phenol?
The canonical SMILES for 2-(2-cyclohexylethynyl)phenol is Oc1ccccc1C#CC1CCCCC1.
What is the InChIKey of 2-(2-cyclohexylethynyl)phenol?
The InChIKey is DISRMQXXDYZVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h4-5,8-9,12,15H,1-3,6-7H2.
What are the key properties of 2-(2-cyclohexylethynyl)phenol?
2-(2-cyclohexylethynyl)phenol has a molecular weight of 200.28 g/mol, XLogP of 3.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylethynyl)phenol is sourced from PubChem (CID 57038623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).