1-(4-bromo-2-methylphenyl)-2-(3-methoxyphenyl)ethanone

C16H15BrO2 — CID 61078247

IUPAC1-(4-bromo-2-methylphenyl)-2-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)c2ccc(Br)cc2C)c1
InChIInChI=1S/C16H15BrO2/c1-11-8-13(17)6-7-15(11)16(18)10-12-4-3-5-14(9-12)19-2/h3-9H,10H2,1-2H3
InChIKeyGBKDRHOUATYEOP-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.19
Rot. Bonds4

About 1-(4-bromo-2-methylphenyl)-2-(3-methoxyphenyl)ethanone

1-(4-bromo-2-methylphenyl)-2-(3-methoxyphenyl)ethanone (PubChem CID 61078247) has the molecular formula C16H15BrO2 and a molecular weight of 319.20 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-2-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-2-(3-methoxyphenyl)ethanone
PubChem CID61078247
Molecular FormulaC16H15BrO2
Molecular Weight319.20 g/mol
Exact Mass318.03
IUPAC Name1-(4-bromo-2-methylphenyl)-2-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)c2ccc(Br)cc2C)c1
InChIInChI=1S/C16H15BrO2/c1-11-8-13(17)6-7-15(11)16(18)10-12-4-3-5-14(9-12)19-2/h3-9H,10H2,1-2H3
InChIKeyGBKDRHOUATYEOP-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-methylphenyl)-2-(3-methoxyphenyl)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-(5-bromo-2-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 65308121
1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 61079156
1-(2-bromo-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 61079528
1-(2-bromo-5-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 81110990
1-(2-bromo-4-fluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 61078965
1-(4-bromo-2-methylphenyl)-2-pyridin-3-ylethanone
CID 115799222
1-(2-fluoro-4-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 43561129
1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 55090408
1-(2,4-dihydroxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 15126648
1-(2-hydroxy-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 121242102
1-(4-methoxy-3-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 43379572
1-(2,4-difluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 43337712

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-2-(3-methoxyphenyl)ethanone?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-2-(3-methoxyphenyl)ethanone (CID 61078247) is 1-(4-bromo-2-methylphenyl)-2-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-2-(3-methoxyphenyl)ethanone?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-2-(3-methoxyphenyl)ethanone is COc1cccc(CC(=O)c2ccc(Br)cc2C)c1.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-2-(3-methoxyphenyl)ethanone?
The InChIKey is GBKDRHOUATYEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO2/c1-11-8-13(17)6-7-15(11)16(18)10-12-4-3-5-14(9-12)19-2/h3-9H,10H2,1-2H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-2-(3-methoxyphenyl)ethanone?
1-(4-bromo-2-methylphenyl)-2-(3-methoxyphenyl)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-methylphenyl)-2-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 61078247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).