2-(3-bromophenyl)-1-(3-chloro-5-methylphenyl)ethanone

C15H12BrClO — CID 81323258

IUPAC2-(3-bromophenyl)-1-(3-chloro-5-methylphenyl)ethanone
SMILESCc1cc(Cl)cc(C(=O)Cc2cccc(Br)c2)c1
InChIInChI=1S/C15H12BrClO/c1-10-5-12(9-14(17)6-10)15(18)8-11-3-2-4-13(16)7-11/h2-7,9H,8H2,1H3
InChIKeyUAAVKHGBHHMIKL-UHFFFAOYSA-N
MW323.62 g/mol
LogP4.84
Rot. Bonds3

About 2-(3-bromophenyl)-1-(3-chloro-5-methylphenyl)ethanone

2-(3-bromophenyl)-1-(3-chloro-5-methylphenyl)ethanone (PubChem CID 81323258) has the molecular formula C15H12BrClO and a molecular weight of 323.62 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(3-chloro-5-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(3-chloro-5-methylphenyl)ethanone
PubChem CID81323258
Molecular FormulaC15H12BrClO
Molecular Weight323.62 g/mol
Exact Mass321.98
IUPAC Name2-(3-bromophenyl)-1-(3-chloro-5-methylphenyl)ethanone
SMILESCc1cc(Cl)cc(C(=O)Cc2cccc(Br)c2)c1
InChIInChI=1S/C15H12BrClO/c1-10-5-12(9-14(17)6-10)15(18)8-11-3-2-4-13(16)7-11/h2-7,9H,8H2,1H3
InChIKeyUAAVKHGBHHMIKL-UHFFFAOYSA-N
XLogP4.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.62
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-5-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 81324031
1-(3-chloro-5-methylphenyl)-2-(4-methylphenyl)ethanone
CID 81323175
1-(3-chloro-5-methylphenyl)-2-(4-chlorophenyl)ethanone
CID 81323958
1-(3-chloro-5-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 114974435
2-(3-bromophenyl)-1-(4-ethylphenyl)ethanone
CID 60797716
1-(3-chloro-5-methylphenyl)-2-(3,5-difluorophenyl)ethanone
CID 105412246
1-(3-chloro-5-methylphenyl)-2-naphthalen-1-ylethanone
CID 81316894
1-(3-chloro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone
CID 81323732
2-(4-bromophenyl)-1-(3,5-dimethylphenyl)ethanone
CID 63411866
2-(3-bromophenyl)-1-(4-chloro-3-methoxyphenyl)ethanone
CID 79700353
1-(3,5-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 114966350
2-(3-bromophenyl)-N-(3,5-dimethylphenyl)acetamide
CID 100697605

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(3-chloro-5-methylphenyl)ethanone?
The IUPAC name of 2-(3-bromophenyl)-1-(3-chloro-5-methylphenyl)ethanone (CID 81323258) is 2-(3-bromophenyl)-1-(3-chloro-5-methylphenyl)ethanone.
What is the SMILES notation for 2-(3-bromophenyl)-1-(3-chloro-5-methylphenyl)ethanone?
The canonical SMILES for 2-(3-bromophenyl)-1-(3-chloro-5-methylphenyl)ethanone is Cc1cc(Cl)cc(C(=O)Cc2cccc(Br)c2)c1.
What is the InChIKey of 2-(3-bromophenyl)-1-(3-chloro-5-methylphenyl)ethanone?
The InChIKey is UAAVKHGBHHMIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClO/c1-10-5-12(9-14(17)6-10)15(18)8-11-3-2-4-13(16)7-11/h2-7,9H,8H2,1H3.
What are the key properties of 2-(3-bromophenyl)-1-(3-chloro-5-methylphenyl)ethanone?
2-(3-bromophenyl)-1-(3-chloro-5-methylphenyl)ethanone has a molecular weight of 323.62 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(3-chloro-5-methylphenyl)ethanone is sourced from PubChem (CID 81323258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).