(2E,4Z)-1-(3-bromophenyl)-6-phenylhexa-2,4-dien-1-one

C18H15BrO — CID 139259982

IUPAC(2E,4Z)-1-(3-bromophenyl)-6-phenylhexa-2,4-dien-1-one
SMILESO=C(/C=C/C=C\Cc1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C18H15BrO/c19-17-12-7-11-16(14-17)18(20)13-6-2-5-10-15-8-3-1-4-9-15/h1-9,11-14H,10H2/b5-2-,13-6+
InChIKeyKPHLRPRAYJNMHH-RIKACAKKSA-N
MW327.22 g/mol
LogP4.99
Rot. Bonds5

About (2E,4Z)-1-(3-bromophenyl)-6-phenylhexa-2,4-dien-1-one

(2E,4Z)-1-(3-bromophenyl)-6-phenylhexa-2,4-dien-1-one (PubChem CID 139259982) has the molecular formula C18H15BrO and a molecular weight of 327.22 g/mol. Its IUPAC name is (2E,4Z)-1-(3-bromophenyl)-6-phenylhexa-2,4-dien-1-one.

Molecular Properties

Compound Name(2E,4Z)-1-(3-bromophenyl)-6-phenylhexa-2,4-dien-1-one
PubChem CID139259982
Molecular FormulaC18H15BrO
Molecular Weight327.22 g/mol
Exact Mass326.03
IUPAC Name(2E,4Z)-1-(3-bromophenyl)-6-phenylhexa-2,4-dien-1-one
SMILESO=C(/C=C/C=C\Cc1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C18H15BrO/c19-17-12-7-11-16(14-17)18(20)13-6-2-5-10-15-8-3-1-4-9-15/h1-9,11-14H,10H2/b5-2-,13-6+
InChIKeyKPHLRPRAYJNMHH-RIKACAKKSA-N
XLogP4.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 54.99
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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Related Compounds

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CID 71346907
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CID 2806204
3-bromo-N-(2-phenylethylideneamino)benzamide
CID 4684181
1-(3-bromophenyl)-3-ethoxyprop-2-en-1-one
CID 76951500
ethyl 4-(3-bromophenyl)but-2-enoate
CID 54033114
N'-[(Z)-3-(3-bromophenyl)-3-oxoprop-1-enyl]benzohydrazide
CID 5369633
1-(3-bromophenyl)-3-(3,5-dibromophenyl)prop-2-en-1-one
CID 123139887
6-phenylhexa-2,4-dienylbenzene;titanium
CID 161467723
1-(3-bromophenyl)-3-pyridin-1-ium-1-ylprop-2-en-1-one chloride
CID 73449206
(2Z)-1-(3-bromophenyl)-2-hydroxyiminoethanone
CID 125475811
5-bromopenta-2,4-dienylbenzene
CID 71379165
carbanide;6-phenylhexa-2,4-dienylbenzene;silane;titanium(2+)
CID 173208197

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-1-(3-bromophenyl)-6-phenylhexa-2,4-dien-1-one?
The IUPAC name of (2E,4Z)-1-(3-bromophenyl)-6-phenylhexa-2,4-dien-1-one (CID 139259982) is (2E,4Z)-1-(3-bromophenyl)-6-phenylhexa-2,4-dien-1-one.
What is the SMILES notation for (2E,4Z)-1-(3-bromophenyl)-6-phenylhexa-2,4-dien-1-one?
The canonical SMILES for (2E,4Z)-1-(3-bromophenyl)-6-phenylhexa-2,4-dien-1-one is O=C(/C=C/C=C\Cc1ccccc1)c1cccc(Br)c1.
What is the InChIKey of (2E,4Z)-1-(3-bromophenyl)-6-phenylhexa-2,4-dien-1-one?
The InChIKey is KPHLRPRAYJNMHH-RIKACAKKSA-N. The full InChI is InChI=1S/C18H15BrO/c19-17-12-7-11-16(14-17)18(20)13-6-2-5-10-15-8-3-1-4-9-15/h1-9,11-14H,10H2/b5-2-,13-6+.
What are the key properties of (2E,4Z)-1-(3-bromophenyl)-6-phenylhexa-2,4-dien-1-one?
(2E,4Z)-1-(3-bromophenyl)-6-phenylhexa-2,4-dien-1-one has a molecular weight of 327.22 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-1-(3-bromophenyl)-6-phenylhexa-2,4-dien-1-one is sourced from PubChem (CID 139259982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).