1-[2-(4-propan-2-ylphenyl)ethynyl]cyclohexan-1-ol

C17H22O — CID 45276566

IUPAC1-[2-(4-propan-2-ylphenyl)ethynyl]cyclohexan-1-ol
SMILESCC(C)c1ccc(C#CC2(O)CCCCC2)cc1
InChIInChI=1S/C17H22O/c1-14(2)16-8-6-15(7-9-16)10-13-17(18)11-4-3-5-12-17/h6-9,14,18H,3-5,11-12H2,1-2H3
InChIKeyONBZFONCORVUMN-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.86
Rot. Bonds1

About 1-[2-(4-propan-2-ylphenyl)ethynyl]cyclohexan-1-ol

1-[2-(4-propan-2-ylphenyl)ethynyl]cyclohexan-1-ol (PubChem CID 45276566) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-[2-(4-propan-2-ylphenyl)ethynyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-(4-propan-2-ylphenyl)ethynyl]cyclohexan-1-ol
PubChem CID45276566
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name1-[2-(4-propan-2-ylphenyl)ethynyl]cyclohexan-1-ol
SMILESCC(C)c1ccc(C#CC2(O)CCCCC2)cc1
InChIInChI=1S/C17H22O/c1-14(2)16-8-6-15(7-9-16)10-13-17(18)11-4-3-5-12-17/h6-9,14,18H,3-5,11-12H2,1-2H3
InChIKeyONBZFONCORVUMN-UHFFFAOYSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.86
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 1-[2-(4-propan-2-ylphenyl)ethynyl]cyclohexan-1-ol?
The IUPAC name of 1-[2-(4-propan-2-ylphenyl)ethynyl]cyclohexan-1-ol (CID 45276566) is 1-[2-(4-propan-2-ylphenyl)ethynyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[2-(4-propan-2-ylphenyl)ethynyl]cyclohexan-1-ol?
The canonical SMILES for 1-[2-(4-propan-2-ylphenyl)ethynyl]cyclohexan-1-ol is CC(C)c1ccc(C#CC2(O)CCCCC2)cc1.
What is the InChIKey of 1-[2-(4-propan-2-ylphenyl)ethynyl]cyclohexan-1-ol?
The InChIKey is ONBZFONCORVUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O/c1-14(2)16-8-6-15(7-9-16)10-13-17(18)11-4-3-5-12-17/h6-9,14,18H,3-5,11-12H2,1-2H3.
What are the key properties of 1-[2-(4-propan-2-ylphenyl)ethynyl]cyclohexan-1-ol?
1-[2-(4-propan-2-ylphenyl)ethynyl]cyclohexan-1-ol has a molecular weight of 242.36 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-propan-2-ylphenyl)ethynyl]cyclohexan-1-ol is sourced from PubChem (CID 45276566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).