4,5-diphenylcyclohex-2-en-1-one

C18H16O — CID 12617897

IUPAC4,5-diphenylcyclohex-2-en-1-one
SMILESO=C1C=CC(c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C18H16O/c19-16-11-12-17(14-7-3-1-4-8-14)18(13-16)15-9-5-2-6-10-15/h1-12,17-18H,13H2
InChIKeyLUSSTDPAVNCMRP-UHFFFAOYSA-N
MW248.33 g/mol
LogP4.08
Rot. Bonds2

About 4,5-diphenylcyclohex-2-en-1-one

4,5-diphenylcyclohex-2-en-1-one (PubChem CID 12617897) has the molecular formula C18H16O and a molecular weight of 248.33 g/mol. Its IUPAC name is 4,5-diphenylcyclohex-2-en-1-one.

Molecular Properties

Compound Name4,5-diphenylcyclohex-2-en-1-one
PubChem CID12617897
Molecular FormulaC18H16O
Molecular Weight248.33 g/mol
Exact Mass248.12
IUPAC Name4,5-diphenylcyclohex-2-en-1-one
SMILESO=C1C=CC(c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C18H16O/c19-16-11-12-17(14-7-3-1-4-8-14)18(13-16)15-9-5-2-6-10-15/h1-12,17-18H,13H2
InChIKeyLUSSTDPAVNCMRP-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 143626722
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(4R)-4-hydroxycyclopent-2-en-1-one
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trans-(4R,5R)-4,5-diphenylcycloheptan-1-one
CID 58293688
(4S,4aS)-4-phenyl-3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyran-6-one
CID 10822521
(4S)-4-benzylsulfanylcyclopent-2-en-1-one
CID 101352200
5-amino-4,6-diphenylpiperidin-2-one
CID 19012812
(5S,6R)-5,6-diphenylpiperidin-2-one
CID 67807202
2-methylidene-5-phenylcyclohexane-1,3-dione
CID 54567672
1,4a,8,8a-tetrahydronaphthalene-2,7-dione
CID 123164314
trans-(3S,4R)-3-phenyl-4-propan-2-ylcyclopentan-1-one
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(5S,6R)-6-methyl-5-phenylpiperidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 4,5-diphenylcyclohex-2-en-1-one?
The IUPAC name of 4,5-diphenylcyclohex-2-en-1-one (CID 12617897) is 4,5-diphenylcyclohex-2-en-1-one.
What is the SMILES notation for 4,5-diphenylcyclohex-2-en-1-one?
The canonical SMILES for 4,5-diphenylcyclohex-2-en-1-one is O=C1C=CC(c2ccccc2)C(c2ccccc2)C1.
What is the InChIKey of 4,5-diphenylcyclohex-2-en-1-one?
The InChIKey is LUSSTDPAVNCMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O/c19-16-11-12-17(14-7-3-1-4-8-14)18(13-16)15-9-5-2-6-10-15/h1-12,17-18H,13H2.
What are the key properties of 4,5-diphenylcyclohex-2-en-1-one?
4,5-diphenylcyclohex-2-en-1-one has a molecular weight of 248.33 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenylcyclohex-2-en-1-one is sourced from PubChem (CID 12617897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).