1-(4-bromophenyl)-3-(3-methylphenyl)propan-2-one

C16H15BrO — CID 60798384

IUPAC1-(4-bromophenyl)-3-(3-methylphenyl)propan-2-one
SMILESCc1cccc(CC(=O)Cc2ccc(Br)cc2)c1
InChIInChI=1S/C16H15BrO/c1-12-3-2-4-14(9-12)11-16(18)10-13-5-7-15(17)8-6-13/h2-9H,10-11H2,1H3
InChIKeyCJXMOOYTMHEJIH-UHFFFAOYSA-N
MW303.20 g/mol
LogP4.11
Rot. Bonds4

About 1-(4-bromophenyl)-3-(3-methylphenyl)propan-2-one

1-(4-bromophenyl)-3-(3-methylphenyl)propan-2-one (PubChem CID 60798384) has the molecular formula C16H15BrO and a molecular weight of 303.20 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(3-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(3-methylphenyl)propan-2-one
PubChem CID60798384
Molecular FormulaC16H15BrO
Molecular Weight303.20 g/mol
Exact Mass302.03
IUPAC Name1-(4-bromophenyl)-3-(3-methylphenyl)propan-2-one
SMILESCc1cccc(CC(=O)Cc2ccc(Br)cc2)c1
InChIInChI=1S/C16H15BrO/c1-12-3-2-4-14(9-12)11-16(18)10-13-5-7-15(17)8-6-13/h2-9H,10-11H2,1H3
InChIKeyCJXMOOYTMHEJIH-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-methylphenyl)-3-phenylpropan-2-one
CID 14882321
1-(4-bromophenyl)sulfanyl-3-(3-methylphenyl)propan-2-one
CID 66057251
1-(4-bromo-2-chlorophenyl)-3-(3-methylphenyl)propan-2-one
CID 113471183
1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 55090408
1-(4-butylphenyl)-3-(3-methylphenyl)propan-2-one
CID 174915700
1-bromo-4-[(3-methylphenyl)methyl]benzene
CID 67156138
1-(2-bromo-5-fluorophenyl)-3-(3-methylphenyl)propan-2-one
CID 62619910
1-(3-bromophenyl)-3-(3,4-dimethylphenyl)propan-2-one
CID 55186208
1-(5-bromo-2-methylphenyl)-2-(3-methylphenyl)ethanone
CID 65306864
1-(4-butylphenyl)-3-(3-methylphenyl)propan-2-one;1-(4-methylphenyl)-3-(4-propylphenyl)propan-2-one
CID 174915698
1-(2-amino-4-bromophenyl)-2-(3-methylphenyl)ethanone
CID 116591838
azanium 2-(3-methylphenyl)acetate
CID 141323779

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(3-methylphenyl)propan-2-one?
The IUPAC name of 1-(4-bromophenyl)-3-(3-methylphenyl)propan-2-one (CID 60798384) is 1-(4-bromophenyl)-3-(3-methylphenyl)propan-2-one.
What is the SMILES notation for 1-(4-bromophenyl)-3-(3-methylphenyl)propan-2-one?
The canonical SMILES for 1-(4-bromophenyl)-3-(3-methylphenyl)propan-2-one is Cc1cccc(CC(=O)Cc2ccc(Br)cc2)c1.
What is the InChIKey of 1-(4-bromophenyl)-3-(3-methylphenyl)propan-2-one?
The InChIKey is CJXMOOYTMHEJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO/c1-12-3-2-4-14(9-12)11-16(18)10-13-5-7-15(17)8-6-13/h2-9H,10-11H2,1H3.
What are the key properties of 1-(4-bromophenyl)-3-(3-methylphenyl)propan-2-one?
1-(4-bromophenyl)-3-(3-methylphenyl)propan-2-one has a molecular weight of 303.20 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(3-methylphenyl)propan-2-one is sourced from PubChem (CID 60798384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).