1-(3-bromophenyl)-2-(4-bromophenyl)ethanone

C14H10Br2O — CID 55026809

IUPAC1-(3-bromophenyl)-2-(4-bromophenyl)ethanone
SMILESO=C(Cc1ccc(Br)cc1)c1cccc(Br)c1
InChIInChI=1S/C14H10Br2O/c15-12-6-4-10(5-7-12)8-14(17)11-2-1-3-13(16)9-11/h1-7,9H,8H2
InChIKeyPNPHREZQSTURHF-UHFFFAOYSA-N
MW354.04 g/mol
LogP4.64
Rot. Bonds3

About 1-(3-bromophenyl)-2-(4-bromophenyl)ethanone

1-(3-bromophenyl)-2-(4-bromophenyl)ethanone (PubChem CID 55026809) has the molecular formula C14H10Br2O and a molecular weight of 354.04 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(4-bromophenyl)ethanone.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(4-bromophenyl)ethanone
PubChem CID55026809
Molecular FormulaC14H10Br2O
Molecular Weight354.04 g/mol
Exact Mass351.91
IUPAC Name1-(3-bromophenyl)-2-(4-bromophenyl)ethanone
SMILESO=C(Cc1ccc(Br)cc1)c1cccc(Br)c1
InChIInChI=1S/C14H10Br2O/c15-12-6-4-10(5-7-12)8-14(17)11-2-1-3-13(16)9-11/h1-7,9H,8H2
InChIKeyPNPHREZQSTURHF-UHFFFAOYSA-N
XLogP4.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.04
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromophenyl)-1-[3-(dimethylamino)phenyl]ethanone
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1-(3-bromophenyl)-2-(3-fluorophenyl)ethanone
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1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanone
CID 103805205
1-(3-bromophenyl)butan-1-one
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2-(3-bromophenyl)-1-(4-ethylphenyl)ethanone
CID 60797716
3-amino-1-(3-bromophenyl)propan-1-one;hydrochloride
CID 91971197
1-(3-bromophenyl)propan-1-one;ethane
CID 145351715
1-(3-bromophenyl)-2-iodoethanone
CID 22380807
2-(4-bromophenyl)-1-(3,5-dimethylphenyl)ethanone
CID 63411866
2-(4-bromophenyl)-1-(3,5-difluorophenyl)ethanone
CID 61055894
1-(3-bromophenyl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 79746330
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CID 146009457

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(4-bromophenyl)ethanone?
The IUPAC name of 1-(3-bromophenyl)-2-(4-bromophenyl)ethanone (CID 55026809) is 1-(3-bromophenyl)-2-(4-bromophenyl)ethanone.
What is the SMILES notation for 1-(3-bromophenyl)-2-(4-bromophenyl)ethanone?
The canonical SMILES for 1-(3-bromophenyl)-2-(4-bromophenyl)ethanone is O=C(Cc1ccc(Br)cc1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(4-bromophenyl)ethanone?
The InChIKey is PNPHREZQSTURHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2O/c15-12-6-4-10(5-7-12)8-14(17)11-2-1-3-13(16)9-11/h1-7,9H,8H2.
What are the key properties of 1-(3-bromophenyl)-2-(4-bromophenyl)ethanone?
1-(3-bromophenyl)-2-(4-bromophenyl)ethanone has a molecular weight of 354.04 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(4-bromophenyl)ethanone is sourced from PubChem (CID 55026809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).