(4-bromo-3-chlorophenyl)-(2,6-dimethoxyphenyl)methanone

C15H12BrClO3 — CID 115813439

IUPAC(4-bromo-3-chlorophenyl)-(2,6-dimethoxyphenyl)methanone
SMILESCOc1cccc(OC)c1C(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C15H12BrClO3/c1-19-12-4-3-5-13(20-2)14(12)15(18)9-6-7-10(16)11(17)8-9/h3-8H,1-2H3
InChIKeyBGLZPGQGJXRQCV-UHFFFAOYSA-N
MW355.62 g/mol
LogP4.35
Rot. Bonds4

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

(4-bromo-3-chlorophenyl)-(2,6-dimethoxyphenyl)methanone (PubChem CID 115813439) has the molecular formula C15H12BrClO3 and a molecular weight of 355.62 g/mol. Its IUPAC name is (4-bromo-3-chlorophenyl)-(2,6-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-3-chlorophenyl)-(2,6-dimethoxyphenyl)methanone
PubChem CID115813439
Molecular FormulaC15H12BrClO3
Molecular Weight355.62 g/mol
Exact Mass353.97
IUPAC Name(4-bromo-3-chlorophenyl)-(2,6-dimethoxyphenyl)methanone
SMILESCOc1cccc(OC)c1C(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C15H12BrClO3/c1-19-12-4-3-5-13(20-2)14(12)15(18)9-6-7-10(16)11(17)8-9/h3-8H,1-2H3
InChIKeyBGLZPGQGJXRQCV-UHFFFAOYSA-N
XLogP4.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.62
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-bromo-3-chlorophenyl)-(2,6-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-amino-6-methoxyphenyl)-(3-chloro-4-methoxyphenyl)methanone
CID 81414308
(4-bromo-3-chlorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 115799973
(3-chloro-4-methylphenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 113241963
(3-bromo-4-methylphenyl)-(3-chloro-4-methoxyphenyl)methanone
CID 81471530
(3,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methanone
CID 105076168
(4-bromo-2,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanone
CID 105056345
(2-bromo-4,6-dimethoxyphenyl)-(3-chloro-4-fluorophenyl)methanone
CID 82873343
4-bromo-3-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
CID 81307448
(3-bromo-4-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 115810874
(5-amino-2-bromophenyl)-(2,6-dimethoxyphenyl)methanone
CID 116811602
(4-chloro-3-methoxyphenyl)-(2,6-difluorophenyl)methanone
CID 79697438
(4-bromo-3-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone
CID 104657090

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chlorophenyl)-(2,6-dimethoxyphenyl)methanone?
The IUPAC name of (4-bromo-3-chlorophenyl)-(2,6-dimethoxyphenyl)methanone (CID 115813439) is (4-bromo-3-chlorophenyl)-(2,6-dimethoxyphenyl)methanone.
What is the SMILES notation for (4-bromo-3-chlorophenyl)-(2,6-dimethoxyphenyl)methanone?
The canonical SMILES for (4-bromo-3-chlorophenyl)-(2,6-dimethoxyphenyl)methanone is COc1cccc(OC)c1C(=O)c1ccc(Br)c(Cl)c1.
What is the InChIKey of (4-bromo-3-chlorophenyl)-(2,6-dimethoxyphenyl)methanone?
The InChIKey is BGLZPGQGJXRQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClO3/c1-19-12-4-3-5-13(20-2)14(12)15(18)9-6-7-10(16)11(17)8-9/h3-8H,1-2H3.
What are the key properties of (4-bromo-3-chlorophenyl)-(2,6-dimethoxyphenyl)methanone?
(4-bromo-3-chlorophenyl)-(2,6-dimethoxyphenyl)methanone has a molecular weight of 355.62 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chlorophenyl)-(2,6-dimethoxyphenyl)methanone is sourced from PubChem (CID 115813439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).