2-bromo-1-[2-(3-methylphenyl)phenyl]ethanone

C15H13BrO — CID 87884829

IUPAC2-bromo-1-[2-(3-methylphenyl)phenyl]ethanone
SMILESCc1cccc(-c2ccccc2C(=O)CBr)c1
InChIInChI=1S/C15H13BrO/c1-11-5-4-6-12(9-11)13-7-2-3-8-14(13)15(17)10-16/h2-9H,10H2,1H3
InChIKeyXLQABNAKSOKJDE-UHFFFAOYSA-N
MW289.17 g/mol
LogP4.24
Rot. Bonds3

About 2-bromo-1-[2-(3-methylphenyl)phenyl]ethanone

2-bromo-1-[2-(3-methylphenyl)phenyl]ethanone (PubChem CID 87884829) has the molecular formula C15H13BrO and a molecular weight of 289.17 g/mol. Its IUPAC name is 2-bromo-1-[2-(3-methylphenyl)phenyl]ethanone.

Molecular Properties

Compound Name2-bromo-1-[2-(3-methylphenyl)phenyl]ethanone
PubChem CID87884829
Molecular FormulaC15H13BrO
Molecular Weight289.17 g/mol
Exact Mass288.01
IUPAC Name2-bromo-1-[2-(3-methylphenyl)phenyl]ethanone
SMILESCc1cccc(-c2ccccc2C(=O)CBr)c1
InChIInChI=1S/C15H13BrO/c1-11-5-4-6-12(9-11)13-7-2-3-8-14(13)15(17)10-16/h2-9H,10H2,1H3
InChIKeyXLQABNAKSOKJDE-UHFFFAOYSA-N
XLogP4.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[2-(3-methylphenyl)phenyl]ethanone?
The IUPAC name of 2-bromo-1-[2-(3-methylphenyl)phenyl]ethanone (CID 87884829) is 2-bromo-1-[2-(3-methylphenyl)phenyl]ethanone.
What is the SMILES notation for 2-bromo-1-[2-(3-methylphenyl)phenyl]ethanone?
The canonical SMILES for 2-bromo-1-[2-(3-methylphenyl)phenyl]ethanone is Cc1cccc(-c2ccccc2C(=O)CBr)c1.
What is the InChIKey of 2-bromo-1-[2-(3-methylphenyl)phenyl]ethanone?
The InChIKey is XLQABNAKSOKJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO/c1-11-5-4-6-12(9-11)13-7-2-3-8-14(13)15(17)10-16/h2-9H,10H2,1H3.
What are the key properties of 2-bromo-1-[2-(3-methylphenyl)phenyl]ethanone?
2-bromo-1-[2-(3-methylphenyl)phenyl]ethanone has a molecular weight of 289.17 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[2-(3-methylphenyl)phenyl]ethanone is sourced from PubChem (CID 87884829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).