4,4,6-triphenylcyclohex-2-en-1-one

C24H20O — CID 11012776

IUPAC4,4,6-triphenylcyclohex-2-en-1-one
SMILESO=C1C=CC(c2ccccc2)(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C24H20O/c25-23-16-17-24(20-12-6-2-7-13-20,21-14-8-3-9-15-21)18-22(23)19-10-4-1-5-11-19/h1-17,22H,18H2
InChIKeyIMVCPUZFVLRMQS-UHFFFAOYSA-N
MW324.42 g/mol
LogP5.29
Rot. Bonds3

About 4,4,6-triphenylcyclohex-2-en-1-one

4,4,6-triphenylcyclohex-2-en-1-one (PubChem CID 11012776) has the molecular formula C24H20O and a molecular weight of 324.42 g/mol. Its IUPAC name is 4,4,6-triphenylcyclohex-2-en-1-one.

Molecular Properties

Compound Name4,4,6-triphenylcyclohex-2-en-1-one
PubChem CID11012776
Molecular FormulaC24H20O
Molecular Weight324.42 g/mol
Exact Mass324.15
IUPAC Name4,4,6-triphenylcyclohex-2-en-1-one
SMILESO=C1C=CC(c2ccccc2)(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C24H20O/c25-23-16-17-24(20-12-6-2-7-13-20,21-14-8-3-9-15-21)18-22(23)19-10-4-1-5-11-19/h1-17,22H,18H2
InChIKeyIMVCPUZFVLRMQS-UHFFFAOYSA-N
XLogP5.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.42
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(6R)-6-[(1S)-1-hydroxy-2,2-diphenylethyl]-4,4-diphenylcyclohex-2-en-1-one
CID 139057610
(1R,5S)-7-methyl-5-phenylbicyclo[3.2.1]octa-3,6-dien-2-one
CID 10878427
4,4,6,6-tetraphenylcyclohex-2-en-1-one
CID 5248169
4,4-dimethyl-2-phenylcyclopentan-1-one
CID 11106110
ethane;(3R)-3-phenylpyrrolidine-2,5-dione
CID 91585654
(4S)-4-phenyloxolane-2,3-dione
CID 129383036
2-phenylspiro[2.4]heptane-4,7-dione
CID 132603438
4-hydroxy-4-methyl-5-phenylcyclopent-2-en-1-one
CID 10997780
3-phenylpyrrolidine-2,5-dione;pyrrole-2,5-dione
CID 161444852
(5-methyl-2-oxo-5-phenylcyclohex-3-en-1-yl) acetate
CID 13380302
cis-(1R,2R)-1,2-diphenylcyclopropan-1-ol
CID 165358316
4,4-diphenylcyclopentane-1,2-dione
CID 15724710

Frequently Asked Questions

What is the IUPAC name of 4,4,6-triphenylcyclohex-2-en-1-one?
The IUPAC name of 4,4,6-triphenylcyclohex-2-en-1-one (CID 11012776) is 4,4,6-triphenylcyclohex-2-en-1-one.
What is the SMILES notation for 4,4,6-triphenylcyclohex-2-en-1-one?
The canonical SMILES for 4,4,6-triphenylcyclohex-2-en-1-one is O=C1C=CC(c2ccccc2)(c2ccccc2)CC1c1ccccc1.
What is the InChIKey of 4,4,6-triphenylcyclohex-2-en-1-one?
The InChIKey is IMVCPUZFVLRMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O/c25-23-16-17-24(20-12-6-2-7-13-20,21-14-8-3-9-15-21)18-22(23)19-10-4-1-5-11-19/h1-17,22H,18H2.
What are the key properties of 4,4,6-triphenylcyclohex-2-en-1-one?
4,4,6-triphenylcyclohex-2-en-1-one has a molecular weight of 324.42 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6-triphenylcyclohex-2-en-1-one is sourced from PubChem (CID 11012776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).