2-cyclohexyl-3-phenylprop-2-enal

C15H18O — CID 85353011

IUPAC2-cyclohexyl-3-phenylprop-2-enal
SMILESO=CC(=Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C15H18O/c16-12-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2
InChIKeyXWHHQPVIHJDIDT-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.85
Rot. Bonds3

About 2-cyclohexyl-3-phenylprop-2-enal

2-cyclohexyl-3-phenylprop-2-enal (PubChem CID 85353011) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-cyclohexyl-3-phenylprop-2-enal.

Molecular Properties

Compound Name2-cyclohexyl-3-phenylprop-2-enal
PubChem CID85353011
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name2-cyclohexyl-3-phenylprop-2-enal
SMILESO=CC(=Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C15H18O/c16-12-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2
InChIKeyXWHHQPVIHJDIDT-UHFFFAOYSA-N
XLogP3.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-cyclohexyl-3-phenylprop-2-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-phenylprop-2-enal?
The IUPAC name of 2-cyclohexyl-3-phenylprop-2-enal (CID 85353011) is 2-cyclohexyl-3-phenylprop-2-enal.
What is the SMILES notation for 2-cyclohexyl-3-phenylprop-2-enal?
The canonical SMILES for 2-cyclohexyl-3-phenylprop-2-enal is O=CC(=Cc1ccccc1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-3-phenylprop-2-enal?
The InChIKey is XWHHQPVIHJDIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c16-12-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2.
What are the key properties of 2-cyclohexyl-3-phenylprop-2-enal?
2-cyclohexyl-3-phenylprop-2-enal has a molecular weight of 214.31 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-phenylprop-2-enal is sourced from PubChem (CID 85353011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).