(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one

C20H20O2 — CID 158678637

IUPAC(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one
SMILESCC(C)=O.O=C(C=Cc1ccccc1)/C=C/c1ccccc1
InChIInChI=1S/C17H14O.C3H6O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;1-3(2)4/h1-14H;1-2H3/b13-11+,14-12?;
InChIKeyIEVKGPDBCXTSEZ-SKSLGULKSA-N
MW292.38 g/mol
LogP4.58
Rot. Bonds4

About (4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one

(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one (PubChem CID 158678637) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is (4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one.

Molecular Properties

Compound Name(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one
PubChem CID158678637
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Name(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one
SMILESCC(C)=O.O=C(C=Cc1ccccc1)/C=C/c1ccccc1
InChIInChI=1S/C17H14O.C3H6O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;1-3(2)4/h1-14H;1-2H3/b13-11+,14-12?;
InChIKeyIEVKGPDBCXTSEZ-SKSLGULKSA-N
XLogP4.58
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
carbanide;bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium(2+)
CID 161273372
azane;1,5-diphenylpenta-1,4-dien-3-one
CID 172776077
(1Z,4Z)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium
CID 154825040
1,5-diphenylpenta-1,4-dien-3-one;hydrochloride
CID 70139846
tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)
CID 140752753
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;1-phenylethanone
CID 160723303
(1E,4E)-1-(4-methylphenyl)-5-phenylpenta-1,4-dien-3-one
CID 6175900
5-methyl-1-phenylhexa-1,4-dien-3-one
CID 73164511
(1Z,4E)-1-hydroxy-5-phenylpenta-1,4-dien-3-one
CID 12748773
(2E,5E)-4-oxo-6-phenylhexa-2,5-dienoic acid
CID 14270149
cesium;carbonic acid;tris(1,5-diphenylpenta-1,4-dien-3-one);hydride;bis(palladium)
CID 174910906

Frequently Asked Questions

What is the IUPAC name of (4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one?
The IUPAC name of (4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one (CID 158678637) is (4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one.
What is the SMILES notation for (4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one?
The canonical SMILES for (4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one is CC(C)=O.O=C(C=Cc1ccccc1)/C=C/c1ccccc1.
What is the InChIKey of (4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one?
The InChIKey is IEVKGPDBCXTSEZ-SKSLGULKSA-N. The full InChI is InChI=1S/C17H14O.C3H6O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;1-3(2)4/h1-14H;1-2H3/b13-11+,14-12?;.
What are the key properties of (4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one?
(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one has a molecular weight of 292.38 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one is sourced from PubChem (CID 158678637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).