1-(4-bromo-2-methoxyphenyl)-2-(2-methylphenyl)ethanone

C16H15BrO2 — CID 113296084

IUPAC1-(4-bromo-2-methoxyphenyl)-2-(2-methylphenyl)ethanone
SMILESCOc1cc(Br)ccc1C(=O)Cc1ccccc1C
InChIInChI=1S/C16H15BrO2/c1-11-5-3-4-6-12(11)9-15(18)14-8-7-13(17)10-16(14)19-2/h3-8,10H,9H2,1-2H3
InChIKeyBHMSKMCADDJGHE-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.19
Rot. Bonds4

About 1-(4-bromo-2-methoxyphenyl)-2-(2-methylphenyl)ethanone

1-(4-bromo-2-methoxyphenyl)-2-(2-methylphenyl)ethanone (PubChem CID 113296084) has the molecular formula C16H15BrO2 and a molecular weight of 319.20 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)-2-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)-2-(2-methylphenyl)ethanone
PubChem CID113296084
Molecular FormulaC16H15BrO2
Molecular Weight319.20 g/mol
Exact Mass318.03
IUPAC Name1-(4-bromo-2-methoxyphenyl)-2-(2-methylphenyl)ethanone
SMILESCOc1cc(Br)ccc1C(=O)Cc1ccccc1C
InChIInChI=1S/C16H15BrO2/c1-11-5-3-4-6-12(11)9-15(18)14-8-7-13(17)10-16(14)19-2/h3-8,10H,9H2,1-2H3
InChIKeyBHMSKMCADDJGHE-UHFFFAOYSA-N
XLogP4.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-2-methoxyphenyl)-2-(2-methylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-dibromophenyl)-2-(2-methylphenyl)ethanone
CID 114373318
1-(4,5-dimethoxy-2-methylphenyl)-2-(2-methylphenyl)ethanone
CID 43626555
1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanone
CID 114963290
1-(4-bromo-2-methoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 115369376
2-(5-bromo-2-methoxyphenyl)-1-(2,4-dimethylphenyl)ethanone
CID 114964594
2-(3-bromophenyl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790334
2-(2,5-dimethylphenyl)-1-(2-methoxyphenyl)ethanone
CID 61481684
2-(5-bromo-2-methoxyphenyl)-1-(2-chlorophenyl)ethanone
CID 62098415
4-bromo-N-(2-ethylphenyl)-2-methoxybenzamide
CID 78987528
2-(5-bromo-2-methylphenoxy)-1-(2-methoxy-4-methylphenyl)ethanone
CID 107285015
1-(5-bromo-1H-indol-3-yl)-2-(2-methylphenyl)ethanone
CID 43340401
2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone
CID 114968478

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxyphenyl)-2-(2-methylphenyl)ethanone?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)-2-(2-methylphenyl)ethanone (CID 113296084) is 1-(4-bromo-2-methoxyphenyl)-2-(2-methylphenyl)ethanone.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)-2-(2-methylphenyl)ethanone?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)-2-(2-methylphenyl)ethanone is COc1cc(Br)ccc1C(=O)Cc1ccccc1C.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)-2-(2-methylphenyl)ethanone?
The InChIKey is BHMSKMCADDJGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO2/c1-11-5-3-4-6-12(11)9-15(18)14-8-7-13(17)10-16(14)19-2/h3-8,10H,9H2,1-2H3.
What are the key properties of 1-(4-bromo-2-methoxyphenyl)-2-(2-methylphenyl)ethanone?
1-(4-bromo-2-methoxyphenyl)-2-(2-methylphenyl)ethanone has a molecular weight of 319.20 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methoxyphenyl)-2-(2-methylphenyl)ethanone is sourced from PubChem (CID 113296084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).