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

C16H15BrO — CID 60797716

IUPAC2-(3-bromophenyl)-1-(4-ethylphenyl)ethanone
SMILESCCc1ccc(C(=O)Cc2cccc(Br)c2)cc1
InChIInChI=1S/C16H15BrO/c1-2-12-6-8-14(9-7-12)16(18)11-13-4-3-5-15(17)10-13/h3-10H,2,11H2,1H3
InChIKeyJXLVLBOWOZBRFC-UHFFFAOYSA-N
MW303.20 g/mol
LogP4.44
Rot. Bonds4

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

2-(3-bromophenyl)-1-(4-ethylphenyl)ethanone (PubChem CID 60797716) has the molecular formula C16H15BrO and a molecular weight of 303.20 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(4-ethylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(4-ethylphenyl)ethanone
PubChem CID60797716
Molecular FormulaC16H15BrO
Molecular Weight303.20 g/mol
Exact Mass302.03
IUPAC Name2-(3-bromophenyl)-1-(4-ethylphenyl)ethanone
SMILESCCc1ccc(C(=O)Cc2cccc(Br)c2)cc1
InChIInChI=1S/C16H15BrO/c1-2-12-6-8-14(9-7-12)16(18)11-13-4-3-5-15(17)10-13/h3-10H,2,11H2,1H3
InChIKeyJXLVLBOWOZBRFC-UHFFFAOYSA-N
XLogP4.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-bromophenyl)methyl-methylamino]-1-(4-ethylphenyl)ethanone
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1-(4-ethylphenyl)-2-phenylethanone
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1-(3-bromophenyl)-2-(3-fluorophenyl)ethanone
CID 24723944
1-(4-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 63411308
1-(3-bromophenyl)-2-(4-bromophenyl)ethanone
CID 55026809
N-(3-bromophenyl)-4-(4-ethylphenyl)-4-oxobutanamide
CID 24643347
1-(4-aminophenyl)-2-(3-ethylphenyl)ethanone
CID 145137621
2-(3-bromophenyl)-1-(3-bromo-4-propoxyphenyl)ethanone
CID 104657086
2-(3-bromophenyl)-1-(3-chloro-5-methylphenyl)ethanone
CID 81323258
2-(3-bromophenyl)-1-(4-chloro-3-methoxyphenyl)ethanone
CID 79700353
1-bromo-3-ethylbenzene;methane
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1-bromo-3-ethylbenzene;ethane
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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(4-ethylphenyl)ethanone?
The IUPAC name of 2-(3-bromophenyl)-1-(4-ethylphenyl)ethanone (CID 60797716) is 2-(3-bromophenyl)-1-(4-ethylphenyl)ethanone.
What is the SMILES notation for 2-(3-bromophenyl)-1-(4-ethylphenyl)ethanone?
The canonical SMILES for 2-(3-bromophenyl)-1-(4-ethylphenyl)ethanone is CCc1ccc(C(=O)Cc2cccc(Br)c2)cc1.
What is the InChIKey of 2-(3-bromophenyl)-1-(4-ethylphenyl)ethanone?
The InChIKey is JXLVLBOWOZBRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO/c1-2-12-6-8-14(9-7-12)16(18)11-13-4-3-5-15(17)10-13/h3-10H,2,11H2,1H3.
What are the key properties of 2-(3-bromophenyl)-1-(4-ethylphenyl)ethanone?
2-(3-bromophenyl)-1-(4-ethylphenyl)ethanone has a molecular weight of 303.20 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(4-ethylphenyl)ethanone is sourced from PubChem (CID 60797716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).