2,3-diphenylcyclohex-2-en-1-one

C18H16O — CID 2748361

IUPAC2,3-diphenylcyclohex-2-en-1-one
SMILESO=C1CCCC(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C18H16O/c19-17-13-7-12-16(14-8-3-1-4-9-14)18(17)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
InChIKeyFCBZHRYVTZBHKD-UHFFFAOYSA-N
MW248.33 g/mol
LogP4.35
Rot. Bonds2

About 2,3-diphenylcyclohex-2-en-1-one

2,3-diphenylcyclohex-2-en-1-one (PubChem CID 2748361) has the molecular formula C18H16O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2,3-diphenylcyclohex-2-en-1-one.

Molecular Properties

Compound Name2,3-diphenylcyclohex-2-en-1-one
PubChem CID2748361
Molecular FormulaC18H16O
Molecular Weight248.33 g/mol
Exact Mass248.12
IUPAC Name2,3-diphenylcyclohex-2-en-1-one
SMILESO=C1CCCC(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C18H16O/c19-17-13-7-12-16(14-8-3-1-4-9-14)18(17)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
InChIKeyFCBZHRYVTZBHKD-UHFFFAOYSA-N
XLogP4.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-diphenylcyclohex-2-en-1-one?
The IUPAC name of 2,3-diphenylcyclohex-2-en-1-one (CID 2748361) is 2,3-diphenylcyclohex-2-en-1-one.
What is the SMILES notation for 2,3-diphenylcyclohex-2-en-1-one?
The canonical SMILES for 2,3-diphenylcyclohex-2-en-1-one is O=C1CCCC(c2ccccc2)=C1c1ccccc1.
What is the InChIKey of 2,3-diphenylcyclohex-2-en-1-one?
The InChIKey is FCBZHRYVTZBHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O/c19-17-13-7-12-16(14-8-3-1-4-9-14)18(17)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2.
What are the key properties of 2,3-diphenylcyclohex-2-en-1-one?
2,3-diphenylcyclohex-2-en-1-one has a molecular weight of 248.33 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenylcyclohex-2-en-1-one is sourced from PubChem (CID 2748361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).