6-(4-bromophenyl)cyclohexa-2,4-dien-1-one

C12H9BrO — CID 141208013

IUPAC6-(4-bromophenyl)cyclohexa-2,4-dien-1-one
SMILESO=C1C=CC=CC1c1ccc(Br)cc1
InChIInChI=1S/C12H9BrO/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14/h1-8,11H
InChIKeyXFFDDPYOSDFVBY-UHFFFAOYSA-N
MW249.11 g/mol
LogP3.23
Rot. Bonds1

About 6-(4-bromophenyl)cyclohexa-2,4-dien-1-one

6-(4-bromophenyl)cyclohexa-2,4-dien-1-one (PubChem CID 141208013) has the molecular formula C12H9BrO and a molecular weight of 249.11 g/mol. Its IUPAC name is 6-(4-bromophenyl)cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-(4-bromophenyl)cyclohexa-2,4-dien-1-one
PubChem CID141208013
Molecular FormulaC12H9BrO
Molecular Weight249.11 g/mol
Exact Mass247.98
IUPAC Name6-(4-bromophenyl)cyclohexa-2,4-dien-1-one
SMILESO=C1C=CC=CC1c1ccc(Br)cc1
InChIInChI=1S/C12H9BrO/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14/h1-8,11H
InChIKeyXFFDDPYOSDFVBY-UHFFFAOYSA-N
XLogP3.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.11
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromophenyl)-4aH-quinolin-4-one
CID 74601109
6-bromo-3-(4-bromophenyl)-3H-pyridin-2-one
CID 74926320
6-(2-chlorophenyl)cyclohexa-2,4-dien-1-one
CID 169094136
8-bromocycloocta-2,4,6-trien-1-one
CID 71392363
6-(4-methylphenyl)cyclohexa-2,4-diene-1-thione
CID 173182351
6-benzylcyclohexa-2,4-dien-1-one
CID 14833665
5-benzyl-3-(4-bromophenyl)-3H-furan-2-one
CID 141059461
1,4-dibromobenzene;oxostibane
CID 173366156
3-(4-bromophenyl)cyclobutan-1-one;ethane
CID 142378468
4-bromo-4aH-quinolin-2-one
CID 71303285
azane;1,4-dibromobenzene
CID 175259215
1,3a-dihydroinden-4-one
CID 102087814

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)cyclohexa-2,4-dien-1-one?
The IUPAC name of 6-(4-bromophenyl)cyclohexa-2,4-dien-1-one (CID 141208013) is 6-(4-bromophenyl)cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-(4-bromophenyl)cyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-(4-bromophenyl)cyclohexa-2,4-dien-1-one is O=C1C=CC=CC1c1ccc(Br)cc1.
What is the InChIKey of 6-(4-bromophenyl)cyclohexa-2,4-dien-1-one?
The InChIKey is XFFDDPYOSDFVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrO/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14/h1-8,11H.
What are the key properties of 6-(4-bromophenyl)cyclohexa-2,4-dien-1-one?
6-(4-bromophenyl)cyclohexa-2,4-dien-1-one has a molecular weight of 249.11 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 141208013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).