1,5-bis(4-bromophenyl)penta-1,4-dien-3-one

C17H12Br2O — CID 5127600

IUPAC1,5-bis(4-bromophenyl)penta-1,4-dien-3-one
SMILESO=C(C=Cc1ccc(Br)cc1)C=Cc1ccc(Br)cc1
InChIInChI=1S/C17H12Br2O/c18-15-7-1-13(2-8-15)5-11-17(20)12-6-14-3-9-16(19)10-4-14/h1-12H
InChIKeyWOPPTRDHNGHVRF-UHFFFAOYSA-N
MW392.09 g/mol
LogP5.51
Rot. Bonds4

About 1,5-bis(4-bromophenyl)penta-1,4-dien-3-one

1,5-bis(4-bromophenyl)penta-1,4-dien-3-one (PubChem CID 5127600) has the molecular formula C17H12Br2O and a molecular weight of 392.09 g/mol. Its IUPAC name is 1,5-bis(4-bromophenyl)penta-1,4-dien-3-one.

Molecular Properties

Compound Name1,5-bis(4-bromophenyl)penta-1,4-dien-3-one
PubChem CID5127600
Molecular FormulaC17H12Br2O
Molecular Weight392.09 g/mol
Exact Mass389.93
IUPAC Name1,5-bis(4-bromophenyl)penta-1,4-dien-3-one
SMILESO=C(C=Cc1ccc(Br)cc1)C=Cc1ccc(Br)cc1
InChIInChI=1S/C17H12Br2O/c18-15-7-1-13(2-8-15)5-11-17(20)12-6-14-3-9-16(19)10-4-14/h1-12H
InChIKeyWOPPTRDHNGHVRF-UHFFFAOYSA-N
XLogP5.51
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 ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-(4-bromophenyl)-1-imidazolidin-2-ylidenebut-3-en-2-one
CID 102535349
methyl 3-(4-bromophenyl)prop-2-enoate
CID 816773
3-(4-bromophenyl)-1-[4-[3-(4-bromophenyl)prop-2-enoyl]-1,4-diazepan-1-yl]prop-2-en-1-one
CID 5058589
1-(4-bromophenyl)-5-hydroxypent-1-en-3-one
CID 175031144
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
5-(4-bromophenyl)penta-2,4-dienoic acid
CID 582037
1-bromo-5-(4-hydroxyphenyl)penta-1,4-dien-3-one
CID 175380964
(1Z,4Z)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium
CID 154825040
azane;1,5-diphenylpenta-1,4-dien-3-one
CID 172776077
1,5-diphenylpenta-1,4-dien-3-one;hydrochloride
CID 70139846
carbanide;bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium(2+)
CID 161273372
tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)
CID 140752753

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(4-bromophenyl)penta-1,4-dien-3-one?
The IUPAC name of 1,5-bis(4-bromophenyl)penta-1,4-dien-3-one (CID 5127600) is 1,5-bis(4-bromophenyl)penta-1,4-dien-3-one.
What is the SMILES notation for 1,5-bis(4-bromophenyl)penta-1,4-dien-3-one?
The canonical SMILES for 1,5-bis(4-bromophenyl)penta-1,4-dien-3-one is O=C(C=Cc1ccc(Br)cc1)C=Cc1ccc(Br)cc1.
What is the InChIKey of 1,5-bis(4-bromophenyl)penta-1,4-dien-3-one?
The InChIKey is WOPPTRDHNGHVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Br2O/c18-15-7-1-13(2-8-15)5-11-17(20)12-6-14-3-9-16(19)10-4-14/h1-12H.
What are the key properties of 1,5-bis(4-bromophenyl)penta-1,4-dien-3-one?
1,5-bis(4-bromophenyl)penta-1,4-dien-3-one has a molecular weight of 392.09 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(4-bromophenyl)penta-1,4-dien-3-one is sourced from PubChem (CID 5127600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).