1-(5-bromo-2-methylphenyl)-2-(3-methylphenyl)ethanone

C16H15BrO — CID 65306864

IUPAC1-(5-bromo-2-methylphenyl)-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)c2cc(Br)ccc2C)c1
InChIInChI=1S/C16H15BrO/c1-11-4-3-5-13(8-11)9-16(18)15-10-14(17)7-6-12(15)2/h3-8,10H,9H2,1-2H3
InChIKeyOZFJCWXZCTYNKK-UHFFFAOYSA-N
MW303.20 g/mol
LogP4.49
Rot. Bonds3

About 1-(5-bromo-2-methylphenyl)-2-(3-methylphenyl)ethanone

1-(5-bromo-2-methylphenyl)-2-(3-methylphenyl)ethanone (PubChem CID 65306864) has the molecular formula C16H15BrO and a molecular weight of 303.20 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-2-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-2-(3-methylphenyl)ethanone
PubChem CID65306864
Molecular FormulaC16H15BrO
Molecular Weight303.20 g/mol
Exact Mass302.03
IUPAC Name1-(5-bromo-2-methylphenyl)-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)c2cc(Br)ccc2C)c1
InChIInChI=1S/C16H15BrO/c1-11-4-3-5-13(8-11)9-16(18)15-10-14(17)7-6-12(15)2/h3-8,10H,9H2,1-2H3
InChIKeyOZFJCWXZCTYNKK-UHFFFAOYSA-N
XLogP4.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-2-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 65308121
1-(2-amino-4-bromophenyl)-2-(3-methylphenyl)ethanone
CID 116591838
1-(5-bromo-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 114966371
1-(5-bromo-2-methylphenyl)-2-pyridin-3-ylethanone
CID 115799150
1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)ethanone
CID 105412124
1-(2-chloro-4-methylphenyl)-2-(3-methylphenyl)ethanone
CID 106861502
1-(2-bromofuran-3-yl)-2-(3-methylphenyl)ethanone
CID 106854616
1-(4,5-dimethoxy-2-methylphenyl)-2-(3-methylphenyl)ethanone
CID 62389766
1-(5-bromo-2-methylphenyl)-2-thiophen-3-ylethanone
CID 65307868
1-(4-bromophenyl)-3-(3-methylphenyl)propan-2-one
CID 60798384
1-(5-bromo-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 65306863
1-(2-hydroxy-5-methylphenyl)-2-(3-methylphenyl)ethanone
CID 155671740

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-2-(3-methylphenyl)ethanone?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-2-(3-methylphenyl)ethanone (CID 65306864) is 1-(5-bromo-2-methylphenyl)-2-(3-methylphenyl)ethanone.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-2-(3-methylphenyl)ethanone?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-2-(3-methylphenyl)ethanone is Cc1cccc(CC(=O)c2cc(Br)ccc2C)c1.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-2-(3-methylphenyl)ethanone?
The InChIKey is OZFJCWXZCTYNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO/c1-11-4-3-5-13(8-11)9-16(18)15-10-14(17)7-6-12(15)2/h3-8,10H,9H2,1-2H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)-2-(3-methylphenyl)ethanone?
1-(5-bromo-2-methylphenyl)-2-(3-methylphenyl)ethanone has a molecular weight of 303.20 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)-2-(3-methylphenyl)ethanone is sourced from PubChem (CID 65306864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).