3-phenyl-2-propan-2-ylidenecyclohex-3-en-1-one

C15H16O — CID 10798606

IUPAC3-phenyl-2-propan-2-ylidenecyclohex-3-en-1-one
SMILESCC(C)=C1C(=O)CCC=C1c1ccccc1
InChIInChI=1S/C15H16O/c1-11(2)15-13(9-6-10-14(15)16)12-7-4-3-5-8-12/h3-5,7-9H,6,10H2,1-2H3
InChIKeyWUZUOYLHLJHSOK-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.77
Rot. Bonds1

About 3-phenyl-2-propan-2-ylidenecyclohex-3-en-1-one

3-phenyl-2-propan-2-ylidenecyclohex-3-en-1-one (PubChem CID 10798606) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-phenyl-2-propan-2-ylidenecyclohex-3-en-1-one.

Molecular Properties

Compound Name3-phenyl-2-propan-2-ylidenecyclohex-3-en-1-one
PubChem CID10798606
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name3-phenyl-2-propan-2-ylidenecyclohex-3-en-1-one
SMILESCC(C)=C1C(=O)CCC=C1c1ccccc1
InChIInChI=1S/C15H16O/c1-11(2)15-13(9-6-10-14(15)16)12-7-4-3-5-8-12/h3-5,7-9H,6,10H2,1-2H3
InChIKeyWUZUOYLHLJHSOK-UHFFFAOYSA-N
XLogP3.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-propan-2-ylidenecyclohex-3-en-1-one?
The IUPAC name of 3-phenyl-2-propan-2-ylidenecyclohex-3-en-1-one (CID 10798606) is 3-phenyl-2-propan-2-ylidenecyclohex-3-en-1-one.
What is the SMILES notation for 3-phenyl-2-propan-2-ylidenecyclohex-3-en-1-one?
The canonical SMILES for 3-phenyl-2-propan-2-ylidenecyclohex-3-en-1-one is CC(C)=C1C(=O)CCC=C1c1ccccc1.
What is the InChIKey of 3-phenyl-2-propan-2-ylidenecyclohex-3-en-1-one?
The InChIKey is WUZUOYLHLJHSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O/c1-11(2)15-13(9-6-10-14(15)16)12-7-4-3-5-8-12/h3-5,7-9H,6,10H2,1-2H3.
What are the key properties of 3-phenyl-2-propan-2-ylidenecyclohex-3-en-1-one?
3-phenyl-2-propan-2-ylidenecyclohex-3-en-1-one has a molecular weight of 212.29 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-propan-2-ylidenecyclohex-3-en-1-one is sourced from PubChem (CID 10798606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).