(2-bromo-3-methylphenyl)-(3-methylphenyl)methanone

C15H13BrO — CID 107984414

IUPAC(2-bromo-3-methylphenyl)-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)c2cccc(C)c2Br)c1
InChIInChI=1S/C15H13BrO/c1-10-5-3-7-12(9-10)15(17)13-8-4-6-11(2)14(13)16/h3-9H,1-2H3
InChIKeyPUIAYBGNPIRZOQ-UHFFFAOYSA-N
MW289.17 g/mol
LogP4.30
Rot. Bonds2

About (2-bromo-3-methylphenyl)-(3-methylphenyl)methanone

(2-bromo-3-methylphenyl)-(3-methylphenyl)methanone (PubChem CID 107984414) has the molecular formula C15H13BrO and a molecular weight of 289.17 g/mol. Its IUPAC name is (2-bromo-3-methylphenyl)-(3-methylphenyl)methanone.

Molecular Properties

Compound Name(2-bromo-3-methylphenyl)-(3-methylphenyl)methanone
PubChem CID107984414
Molecular FormulaC15H13BrO
Molecular Weight289.17 g/mol
Exact Mass288.01
IUPAC Name(2-bromo-3-methylphenyl)-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)c2cccc(C)c2Br)c1
InChIInChI=1S/C15H13BrO/c1-10-5-3-7-12(9-10)15(17)13-8-4-6-11(2)14(13)16/h3-9H,1-2H3
InChIKeyPUIAYBGNPIRZOQ-UHFFFAOYSA-N
XLogP4.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-3-methylphenyl)-(3,5-dimethylphenyl)methanone
CID 114024133
bis(3-methylphenyl)methanone
CID 17848
(2-bromo-3-methylphenyl)-(3,5-dimethoxyphenyl)methanone
CID 107984562
5-(2-bromo-3-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 107981626
2-(3-methylbenzoyl)benzoic acid
CID 2801746
(2,3-difluorophenyl)-(3-methylphenyl)methanone
CID 63987550
(4-bromo-2-iodophenyl)-(3-methylphenyl)methanone
CID 15467561
N-[4-(2-bromo-3-methylbenzoyl)phenyl]acetamide
CID 107981614
(2-bromo-4,5-dimethoxyphenyl)-(3-methylphenyl)methanone
CID 43161114
5-(2-bromo-3-methylbenzoyl)-1-methyl-3H-indol-2-one
CID 107981641
(4-bromo-3,5-dimethylphenyl)-(2,3-dimethylphenyl)methanone
CID 114329761
(2-bromo-3-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone
CID 107981662

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-methylphenyl)-(3-methylphenyl)methanone?
The IUPAC name of (2-bromo-3-methylphenyl)-(3-methylphenyl)methanone (CID 107984414) is (2-bromo-3-methylphenyl)-(3-methylphenyl)methanone.
What is the SMILES notation for (2-bromo-3-methylphenyl)-(3-methylphenyl)methanone?
The canonical SMILES for (2-bromo-3-methylphenyl)-(3-methylphenyl)methanone is Cc1cccc(C(=O)c2cccc(C)c2Br)c1.
What is the InChIKey of (2-bromo-3-methylphenyl)-(3-methylphenyl)methanone?
The InChIKey is PUIAYBGNPIRZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO/c1-10-5-3-7-12(9-10)15(17)13-8-4-6-11(2)14(13)16/h3-9H,1-2H3.
What are the key properties of (2-bromo-3-methylphenyl)-(3-methylphenyl)methanone?
(2-bromo-3-methylphenyl)-(3-methylphenyl)methanone has a molecular weight of 289.17 g/mol, XLogP of 4.30, 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-methylphenyl)methanone is sourced from PubChem (CID 107984414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).