(2-bromo-3-methylphenyl)-(3,5-dimethylphenyl)methanone

C16H15BrO — CID 114024133

IUPAC(2-bromo-3-methylphenyl)-(3,5-dimethylphenyl)methanone
SMILESCc1cc(C)cc(C(=O)c2cccc(C)c2Br)c1
InChIInChI=1S/C16H15BrO/c1-10-7-11(2)9-13(8-10)16(18)14-6-4-5-12(3)15(14)17/h4-9H,1-3H3
InChIKeyXDJOFXCDRFQNAR-UHFFFAOYSA-N
MW303.20 g/mol
LogP4.61
Rot. Bonds2

About (2-bromo-3-methylphenyl)-(3,5-dimethylphenyl)methanone

(2-bromo-3-methylphenyl)-(3,5-dimethylphenyl)methanone (PubChem CID 114024133) has the molecular formula C16H15BrO and a molecular weight of 303.20 g/mol. Its IUPAC name is (2-bromo-3-methylphenyl)-(3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(2-bromo-3-methylphenyl)-(3,5-dimethylphenyl)methanone
PubChem CID114024133
Molecular FormulaC16H15BrO
Molecular Weight303.20 g/mol
Exact Mass302.03
IUPAC Name(2-bromo-3-methylphenyl)-(3,5-dimethylphenyl)methanone
SMILESCc1cc(C)cc(C(=O)c2cccc(C)c2Br)c1
InChIInChI=1S/C16H15BrO/c1-10-7-11(2)9-13(8-10)16(18)14-6-4-5-12(3)15(14)17/h4-9H,1-3H3
InChIKeyXDJOFXCDRFQNAR-UHFFFAOYSA-N
XLogP4.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-3-methylphenyl)-(3-methylphenyl)methanone
CID 107984414
(2-bromo-3-methylphenyl)-(3,5-dimethoxyphenyl)methanone
CID 107984562
(4-bromo-3,5-dimethylphenyl)-(2,3-dimethylphenyl)methanone
CID 114329761
N-[4-(2-bromo-3-methylbenzoyl)phenyl]acetamide
CID 107981614
5-(2-bromo-3-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 107981626
(2-bromo-3-methylphenyl)-(5-bromo-2-methylthiophen-3-yl)methanone
CID 107981713
2-(3,5-dimethylbenzoyl)benzoate
CID 4526891
2-bromo-3-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 107983181
bis(3,5-dimethylphenyl)methanone
CID 15640171
5-(2-bromo-3-methylbenzoyl)-1-methyl-3H-indol-2-one
CID 107981641
(2-bromo-3-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone
CID 107981662
(3-bromo-5-methylphenyl)-(2-fluorophenyl)methanone
CID 114965994

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-methylphenyl)-(3,5-dimethylphenyl)methanone?
The IUPAC name of (2-bromo-3-methylphenyl)-(3,5-dimethylphenyl)methanone (CID 114024133) is (2-bromo-3-methylphenyl)-(3,5-dimethylphenyl)methanone.
What is the SMILES notation for (2-bromo-3-methylphenyl)-(3,5-dimethylphenyl)methanone?
The canonical SMILES for (2-bromo-3-methylphenyl)-(3,5-dimethylphenyl)methanone is Cc1cc(C)cc(C(=O)c2cccc(C)c2Br)c1.
What is the InChIKey of (2-bromo-3-methylphenyl)-(3,5-dimethylphenyl)methanone?
The InChIKey is XDJOFXCDRFQNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO/c1-10-7-11(2)9-13(8-10)16(18)14-6-4-5-12(3)15(14)17/h4-9H,1-3H3.
What are the key properties of (2-bromo-3-methylphenyl)-(3,5-dimethylphenyl)methanone?
(2-bromo-3-methylphenyl)-(3,5-dimethylphenyl)methanone has a molecular weight of 303.20 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-methylphenyl)-(3,5-dimethylphenyl)methanone is sourced from PubChem (CID 114024133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).