1-(4-bromo-2-chlorophenyl)-2-(4-ethylphenyl)ethanone

C16H14BrClO — CID 114963420

IUPAC1-(4-bromo-2-chlorophenyl)-2-(4-ethylphenyl)ethanone
SMILESCCc1ccc(CC(=O)c2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C16H14BrClO/c1-2-11-3-5-12(6-4-11)9-16(19)14-8-7-13(17)10-15(14)18/h3-8,10H,2,9H2,1H3
InChIKeyBHUSZQDVHUZCDX-UHFFFAOYSA-N
MW337.64 g/mol
LogP5.09
Rot. Bonds4

About 1-(4-bromo-2-chlorophenyl)-2-(4-ethylphenyl)ethanone

1-(4-bromo-2-chlorophenyl)-2-(4-ethylphenyl)ethanone (PubChem CID 114963420) has the molecular formula C16H14BrClO and a molecular weight of 337.64 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-2-(4-ethylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-2-(4-ethylphenyl)ethanone
PubChem CID114963420
Molecular FormulaC16H14BrClO
Molecular Weight337.64 g/mol
Exact Mass335.99
IUPAC Name1-(4-bromo-2-chlorophenyl)-2-(4-ethylphenyl)ethanone
SMILESCCc1ccc(CC(=O)c2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C16H14BrClO/c1-2-11-3-5-12(6-4-11)9-16(19)14-8-7-13(17)10-15(14)18/h3-8,10H,2,9H2,1H3
InChIKeyBHUSZQDVHUZCDX-UHFFFAOYSA-N
XLogP5.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.64
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(4-bromo-2-chlorophenyl)-2-ethoxyethanone
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1-(4-bromo-2-chlorophenyl)undecan-1-one
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2-(4-bromo-2-fluorophenyl)-1-(2-chloro-4-fluorophenyl)ethanone
CID 63410449
1-(2-amino-4-bromophenyl)-2-(3,4-dichlorophenyl)ethanone
CID 116591699
1-(4-bromo-2-chlorophenyl)-2-thiophen-2-ylethanone
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2-(4-bromophenyl)-1-(4-chloro-2,5-difluorophenyl)ethanone
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1-(4-bromo-2-chlorophenyl)-3-[2-hydroxypropyl(methyl)amino]propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-2-(4-ethylphenyl)ethanone?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-2-(4-ethylphenyl)ethanone (CID 114963420) is 1-(4-bromo-2-chlorophenyl)-2-(4-ethylphenyl)ethanone.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-2-(4-ethylphenyl)ethanone?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-2-(4-ethylphenyl)ethanone is CCc1ccc(CC(=O)c2ccc(Br)cc2Cl)cc1.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-2-(4-ethylphenyl)ethanone?
The InChIKey is BHUSZQDVHUZCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClO/c1-2-11-3-5-12(6-4-11)9-16(19)14-8-7-13(17)10-15(14)18/h3-8,10H,2,9H2,1H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-2-(4-ethylphenyl)ethanone?
1-(4-bromo-2-chlorophenyl)-2-(4-ethylphenyl)ethanone has a molecular weight of 337.64 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-2-(4-ethylphenyl)ethanone is sourced from PubChem (CID 114963420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).