(E)-2-benzoyl-1,5-diphenylpent-4-ene-1,3-dione

C24H18O3 — CID 175303406

IUPAC(E)-2-benzoyl-1,5-diphenylpent-4-ene-1,3-dione
SMILESO=C(/C=C/c1ccccc1)C(C(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C24H18O3/c25-21(17-16-18-10-4-1-5-11-18)22(23(26)19-12-6-2-7-13-19)24(27)20-14-8-3-9-15-20/h1-17,22H/b17-16+
InChIKeyOOPOASDSCGGZGX-WUKNDPDISA-N
MW354.41 g/mol
LogP4.65
Rot. Bonds7

About (E)-2-benzoyl-1,5-diphenylpent-4-ene-1,3-dione

(E)-2-benzoyl-1,5-diphenylpent-4-ene-1,3-dione (PubChem CID 175303406) has the molecular formula C24H18O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is (E)-2-benzoyl-1,5-diphenylpent-4-ene-1,3-dione.

Molecular Properties

Compound Name(E)-2-benzoyl-1,5-diphenylpent-4-ene-1,3-dione
PubChem CID175303406
Molecular FormulaC24H18O3
Molecular Weight354.41 g/mol
Exact Mass354.13
IUPAC Name(E)-2-benzoyl-1,5-diphenylpent-4-ene-1,3-dione
SMILESO=C(/C=C/c1ccccc1)C(C(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C24H18O3/c25-21(17-16-18-10-4-1-5-11-18)22(23(26)19-12-6-2-7-13-19)24(27)20-14-8-3-9-15-20/h1-17,22H/b17-16+
InChIKeyOOPOASDSCGGZGX-WUKNDPDISA-N
XLogP4.65
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-benzoyl-1,5-diphenylpent-4-ene-1,3-dione
CID 164898898
(E)-4-fluoro-1-phenylpent-1-en-3-one
CID 164677372
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
diphenylmethanone;(E)-3-phenylprop-2-enoic acid
CID 70019468
(Z)-3-phenylprop-2-enoic acid
CID 5372954
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
1,3-diphenylprop-2-en-1-one;ethanol
CID 146424659
3-oxo-5-phenyl-2-(2-phenylethenyl)pent-4-enoic acid
CID 91519477
[(1R)-2-oxo-1,2-diphenylethyl] (E)-3-phenylprop-2-enoate
CID 776025
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
(2-hydroxy-3-oxo-3-phenylpropyl) (E)-3-phenylprop-2-enoate
CID 11197215
1-hydroxy-1-(4-methylphenyl)-4-phenylbut-3-en-2-one
CID 4661079

Frequently Asked Questions

What is the IUPAC name of (E)-2-benzoyl-1,5-diphenylpent-4-ene-1,3-dione?
The IUPAC name of (E)-2-benzoyl-1,5-diphenylpent-4-ene-1,3-dione (CID 175303406) is (E)-2-benzoyl-1,5-diphenylpent-4-ene-1,3-dione.
What is the SMILES notation for (E)-2-benzoyl-1,5-diphenylpent-4-ene-1,3-dione?
The canonical SMILES for (E)-2-benzoyl-1,5-diphenylpent-4-ene-1,3-dione is O=C(/C=C/c1ccccc1)C(C(=O)c1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of (E)-2-benzoyl-1,5-diphenylpent-4-ene-1,3-dione?
The InChIKey is OOPOASDSCGGZGX-WUKNDPDISA-N. The full InChI is InChI=1S/C24H18O3/c25-21(17-16-18-10-4-1-5-11-18)22(23(26)19-12-6-2-7-13-19)24(27)20-14-8-3-9-15-20/h1-17,22H/b17-16+.
What are the key properties of (E)-2-benzoyl-1,5-diphenylpent-4-ene-1,3-dione?
(E)-2-benzoyl-1,5-diphenylpent-4-ene-1,3-dione has a molecular weight of 354.41 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-benzoyl-1,5-diphenylpent-4-ene-1,3-dione is sourced from PubChem (CID 175303406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).