(2-bromo-4,6-dimethoxyphenyl)-(3-bromo-5-methylphenyl)methanone

C16H14Br2O3 — CID 104851039

IUPAC(2-bromo-4,6-dimethoxyphenyl)-(3-bromo-5-methylphenyl)methanone
SMILESCOc1cc(Br)c(C(=O)c2cc(C)cc(Br)c2)c(OC)c1
InChIInChI=1S/C16H14Br2O3/c1-9-4-10(6-11(17)5-9)16(19)15-13(18)7-12(20-2)8-14(15)21-3/h4-8H,1-3H3
InChIKeyGFSZXLPJXBGWLB-UHFFFAOYSA-N
MW414.09 g/mol
LogP4.77
Rot. Bonds4

About (2-bromo-4,6-dimethoxyphenyl)-(3-bromo-5-methylphenyl)methanone

(2-bromo-4,6-dimethoxyphenyl)-(3-bromo-5-methylphenyl)methanone (PubChem CID 104851039) has the molecular formula C16H14Br2O3 and a molecular weight of 414.09 g/mol. Its IUPAC name is (2-bromo-4,6-dimethoxyphenyl)-(3-bromo-5-methylphenyl)methanone.

Molecular Properties

Compound Name(2-bromo-4,6-dimethoxyphenyl)-(3-bromo-5-methylphenyl)methanone
PubChem CID104851039
Molecular FormulaC16H14Br2O3
Molecular Weight414.09 g/mol
Exact Mass411.93
IUPAC Name(2-bromo-4,6-dimethoxyphenyl)-(3-bromo-5-methylphenyl)methanone
SMILESCOc1cc(Br)c(C(=O)c2cc(C)cc(Br)c2)c(OC)c1
InChIInChI=1S/C16H14Br2O3/c1-9-4-10(6-11(17)5-9)16(19)15-13(18)7-12(20-2)8-14(15)21-3/h4-8H,1-3H3
InChIKeyGFSZXLPJXBGWLB-UHFFFAOYSA-N
XLogP4.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.09
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-bromo-4,6-dimethoxyphenyl)-(3-bromo-5-methylphenyl)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

(3-bromo-5-methylphenyl)-(2,6-difluoro-4-methoxyphenyl)methanone
CID 104850995
(3-bromo-4-methoxyphenyl)-(3-bromo-5-methylphenyl)methanone
CID 104850964
(3-bromo-5-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 104851011
methyl 3-bromo-5-methylbenzenecarboperoxoate
CID 166686866
3-bromo-N-(3,5-dimethoxyphenyl)-5-methylbenzamide
CID 104851763
(3-bromo-5-methylphenyl)-(3-methoxypyrazin-2-yl)methanone
CID 115797185
(2-bromo-4,6-dimethoxyphenyl)-(3-chloro-4-fluorophenyl)methanone
CID 82873343
2-bromo-6-methoxy-4-methylbenzoic acid
CID 84802763
1-(2-bromo-4,6-dimethoxyphenyl)prop-2-yn-1-one
CID 142747648
bis(2,4-dimethoxy-6-methylphenyl)methanone
CID 54389353
methyl 2-bromo-6-methoxy-4-methylbenzoate
CID 131571663
(3,5-dibromophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 107976766

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4,6-dimethoxyphenyl)-(3-bromo-5-methylphenyl)methanone?
The IUPAC name of (2-bromo-4,6-dimethoxyphenyl)-(3-bromo-5-methylphenyl)methanone (CID 104851039) is (2-bromo-4,6-dimethoxyphenyl)-(3-bromo-5-methylphenyl)methanone.
What is the SMILES notation for (2-bromo-4,6-dimethoxyphenyl)-(3-bromo-5-methylphenyl)methanone?
The canonical SMILES for (2-bromo-4,6-dimethoxyphenyl)-(3-bromo-5-methylphenyl)methanone is COc1cc(Br)c(C(=O)c2cc(C)cc(Br)c2)c(OC)c1.
What is the InChIKey of (2-bromo-4,6-dimethoxyphenyl)-(3-bromo-5-methylphenyl)methanone?
The InChIKey is GFSZXLPJXBGWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2O3/c1-9-4-10(6-11(17)5-9)16(19)15-13(18)7-12(20-2)8-14(15)21-3/h4-8H,1-3H3.
What are the key properties of (2-bromo-4,6-dimethoxyphenyl)-(3-bromo-5-methylphenyl)methanone?
(2-bromo-4,6-dimethoxyphenyl)-(3-bromo-5-methylphenyl)methanone has a molecular weight of 414.09 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4,6-dimethoxyphenyl)-(3-bromo-5-methylphenyl)methanone is sourced from PubChem (CID 104851039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).