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

C16H15BrO3 — CID 107984562

IUPAC(2-bromo-3-methylphenyl)-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)c2cccc(C)c2Br)c1
InChIInChI=1S/C16H15BrO3/c1-10-5-4-6-14(15(10)17)16(18)11-7-12(19-2)9-13(8-11)20-3/h4-9H,1-3H3
InChIKeyQVMJSPCZZHHCJD-UHFFFAOYSA-N
MW335.20 g/mol
LogP4.01
Rot. Bonds4

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

(2-bromo-3-methylphenyl)-(3,5-dimethoxyphenyl)methanone (PubChem CID 107984562) has the molecular formula C16H15BrO3 and a molecular weight of 335.20 g/mol. Its IUPAC name is (2-bromo-3-methylphenyl)-(3,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-bromo-3-methylphenyl)-(3,5-dimethoxyphenyl)methanone
PubChem CID107984562
Molecular FormulaC16H15BrO3
Molecular Weight335.20 g/mol
Exact Mass334.02
IUPAC Name(2-bromo-3-methylphenyl)-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)c2cccc(C)c2Br)c1
InChIInChI=1S/C16H15BrO3/c1-10-5-4-6-14(15(10)17)16(18)11-7-12(19-2)9-13(8-11)20-3/h4-9H,1-3H3
InChIKeyQVMJSPCZZHHCJD-UHFFFAOYSA-N
XLogP4.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-bromo-3-methylphenyl)-(3,5-dimethoxyphenyl)methanone 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

(2-bromo-3-methylphenyl)-(3,5-dimethylphenyl)methanone
CID 114024133
(2-bromo-3-methylphenyl)-(3-methylphenyl)methanone
CID 107984414
(3,5-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanone
CID 114965510
(2-chlorophenyl)-(3,5-dimethoxyphenyl)methanone
CID 24723148
(2,5-dibromophenyl)-(3,5-dimethoxyphenyl)methanone
CID 115785475
(3,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methanone
CID 104789248
2-(3,5-dimethoxybenzoyl)-3-methylbenzaldehyde
CID 140507871
(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
(2,6-dichlorophenyl)-(3,5-dimethoxyphenyl)methanone
CID 112694085
2-bromo-N-(2,4-dimethoxyphenyl)-3-methylbenzamide
CID 103852740

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-methylphenyl)-(3,5-dimethoxyphenyl)methanone?
The IUPAC name of (2-bromo-3-methylphenyl)-(3,5-dimethoxyphenyl)methanone (CID 107984562) is (2-bromo-3-methylphenyl)-(3,5-dimethoxyphenyl)methanone.
What is the SMILES notation for (2-bromo-3-methylphenyl)-(3,5-dimethoxyphenyl)methanone?
The canonical SMILES for (2-bromo-3-methylphenyl)-(3,5-dimethoxyphenyl)methanone is COc1cc(OC)cc(C(=O)c2cccc(C)c2Br)c1.
What is the InChIKey of (2-bromo-3-methylphenyl)-(3,5-dimethoxyphenyl)methanone?
The InChIKey is QVMJSPCZZHHCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO3/c1-10-5-4-6-14(15(10)17)16(18)11-7-12(19-2)9-13(8-11)20-3/h4-9H,1-3H3.
What are the key properties of (2-bromo-3-methylphenyl)-(3,5-dimethoxyphenyl)methanone?
(2-bromo-3-methylphenyl)-(3,5-dimethoxyphenyl)methanone has a molecular weight of 335.20 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-methylphenyl)-(3,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 107984562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).