1,2-diphenylethane-1,2-dione;1-ethenyl-2-ethylbenzene

C24H22O2 — CID 174766934

IUPAC1,2-diphenylethane-1,2-dione;1-ethenyl-2-ethylbenzene
SMILESC=Cc1ccccc1CC.O=C(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H10O2.C10H12/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-3-9-7-5-6-8-10(9)4-2/h1-10H;3,5-8H,1,4H2,2H3
InChIKeyCXGUSUGQEFOTOC-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.64
Rot. Bonds5

About 1,2-diphenylethane-1,2-dione;1-ethenyl-2-ethylbenzene

1,2-diphenylethane-1,2-dione;1-ethenyl-2-ethylbenzene (PubChem CID 174766934) has the molecular formula C24H22O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1,2-diphenylethane-1,2-dione;1-ethenyl-2-ethylbenzene.

Molecular Properties

Compound Name1,2-diphenylethane-1,2-dione;1-ethenyl-2-ethylbenzene
PubChem CID174766934
Molecular FormulaC24H22O2
Molecular Weight342.44 g/mol
Exact Mass342.16
IUPAC Name1,2-diphenylethane-1,2-dione;1-ethenyl-2-ethylbenzene
SMILESC=Cc1ccccc1CC.O=C(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H10O2.C10H12/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-3-9-7-5-6-8-10(9)4-2/h1-10H;3,5-8H,1,4H2,2H3
InChIKeyCXGUSUGQEFOTOC-UHFFFAOYSA-N
XLogP5.64
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1,2-bis(ethenyl)benzene;1-ethenyl-2-ethylbenzene
CID 18622340
ethane;1-ethenyl-2-ethylbenzene;1,1,1-trifluoroethane
CID 145463333
1-ethenyl-2-ethylbenzene;phenoxybenzene;phosphoric acid
CID 174902871
1-ethenyl-2-ethylbenzene;methyl 2-methylprop-2-enoate
CID 174879691
acetic acid;1-butyl-2-ethenylbenzene
CID 174903313
azane;1-(2-ethenyl-3,4,5-triethylphenyl)-2-phenylethane-1,2-dione;hydrochloride
CID 173216030
2-(2-ethenylphenyl)-N,N-diethylacetamide
CID 122394792
1-ethenyl-2-ethylbenzene;4-ethenylpyridine
CID 175575615
1-(2-ethenylphenyl)-2-phenylethane-1,2-dione;hydrochloride
CID 172775927
(E)-3-(2-ethylphenyl)prop-2-enoic acid
CID 6198622
1-(bromomethyl)-2-ethenylbenzene;2-methylprop-1-ene
CID 22617263
1-ethyl-2-[(E)-2-(2-ethylphenyl)ethenyl]benzene
CID 173096037

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenylethane-1,2-dione;1-ethenyl-2-ethylbenzene?
The IUPAC name of 1,2-diphenylethane-1,2-dione;1-ethenyl-2-ethylbenzene (CID 174766934) is 1,2-diphenylethane-1,2-dione;1-ethenyl-2-ethylbenzene.
What is the SMILES notation for 1,2-diphenylethane-1,2-dione;1-ethenyl-2-ethylbenzene?
The canonical SMILES for 1,2-diphenylethane-1,2-dione;1-ethenyl-2-ethylbenzene is C=Cc1ccccc1CC.O=C(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 1,2-diphenylethane-1,2-dione;1-ethenyl-2-ethylbenzene?
The InChIKey is CXGUSUGQEFOTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O2.C10H12/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-3-9-7-5-6-8-10(9)4-2/h1-10H;3,5-8H,1,4H2,2H3.
What are the key properties of 1,2-diphenylethane-1,2-dione;1-ethenyl-2-ethylbenzene?
1,2-diphenylethane-1,2-dione;1-ethenyl-2-ethylbenzene has a molecular weight of 342.44 g/mol, XLogP of 5.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenylethane-1,2-dione;1-ethenyl-2-ethylbenzene is sourced from PubChem (CID 174766934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).