(2E,4Z)-4-bromo-1-(4-bromophenyl)-5-phenylpenta-2,4-dien-1-one

C17H12Br2O — CID 2046768

IUPAC(2E,4Z)-4-bromo-1-(4-bromophenyl)-5-phenylpenta-2,4-dien-1-one
SMILESO=C(/C=C/C(Br)=C/c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C17H12Br2O/c18-15-8-6-14(7-9-15)17(20)11-10-16(19)12-13-4-2-1-3-5-13/h1-12H/b11-10+,16-12-
InChIKeyZGEXJMLQCXGASW-ZBUTWXCBSA-N
MW392.09 g/mol
LogP5.62
Rot. Bonds4

About (2E,4Z)-4-bromo-1-(4-bromophenyl)-5-phenylpenta-2,4-dien-1-one

(2E,4Z)-4-bromo-1-(4-bromophenyl)-5-phenylpenta-2,4-dien-1-one (PubChem CID 2046768) has the molecular formula C17H12Br2O and a molecular weight of 392.09 g/mol. Its IUPAC name is (2E,4Z)-4-bromo-1-(4-bromophenyl)-5-phenylpenta-2,4-dien-1-one.

Molecular Properties

Compound Name(2E,4Z)-4-bromo-1-(4-bromophenyl)-5-phenylpenta-2,4-dien-1-one
PubChem CID2046768
Molecular FormulaC17H12Br2O
Molecular Weight392.09 g/mol
Exact Mass389.93
IUPAC Name(2E,4Z)-4-bromo-1-(4-bromophenyl)-5-phenylpenta-2,4-dien-1-one
SMILESO=C(/C=C/C(Br)=C/c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C17H12Br2O/c18-15-8-6-14(7-9-15)17(20)11-10-16(19)12-13-4-2-1-3-5-13/h1-12H/b11-10+,16-12-
InChIKeyZGEXJMLQCXGASW-ZBUTWXCBSA-N
XLogP5.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.09
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-4-bromo-1-(4-bromophenyl)-5-phenylpenta-2,4-dien-1-one?
The IUPAC name of (2E,4Z)-4-bromo-1-(4-bromophenyl)-5-phenylpenta-2,4-dien-1-one (CID 2046768) is (2E,4Z)-4-bromo-1-(4-bromophenyl)-5-phenylpenta-2,4-dien-1-one.
What is the SMILES notation for (2E,4Z)-4-bromo-1-(4-bromophenyl)-5-phenylpenta-2,4-dien-1-one?
The canonical SMILES for (2E,4Z)-4-bromo-1-(4-bromophenyl)-5-phenylpenta-2,4-dien-1-one is O=C(/C=C/C(Br)=C/c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of (2E,4Z)-4-bromo-1-(4-bromophenyl)-5-phenylpenta-2,4-dien-1-one?
The InChIKey is ZGEXJMLQCXGASW-ZBUTWXCBSA-N. The full InChI is InChI=1S/C17H12Br2O/c18-15-8-6-14(7-9-15)17(20)11-10-16(19)12-13-4-2-1-3-5-13/h1-12H/b11-10+,16-12-.
What are the key properties of (2E,4Z)-4-bromo-1-(4-bromophenyl)-5-phenylpenta-2,4-dien-1-one?
(2E,4Z)-4-bromo-1-(4-bromophenyl)-5-phenylpenta-2,4-dien-1-one has a molecular weight of 392.09 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-4-bromo-1-(4-bromophenyl)-5-phenylpenta-2,4-dien-1-one is sourced from PubChem (CID 2046768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).