(6-bromo-3-methyl-1-benzofuran-2-yl)-(4-methylphenyl)methanone

C17H13BrO2 — CID 102949358

IUPAC(6-bromo-3-methyl-1-benzofuran-2-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2oc3cc(Br)ccc3c2C)cc1
InChIInChI=1S/C17H13BrO2/c1-10-3-5-12(6-4-10)16(19)17-11(2)14-8-7-13(18)9-15(14)20-17/h3-9H,1-2H3
InChIKeyLOTUGTDHLVWJFJ-UHFFFAOYSA-N
MW329.19 g/mol
LogP5.04
Rot. Bonds2

About (6-bromo-3-methyl-1-benzofuran-2-yl)-(4-methylphenyl)methanone

(6-bromo-3-methyl-1-benzofuran-2-yl)-(4-methylphenyl)methanone (PubChem CID 102949358) has the molecular formula C17H13BrO2 and a molecular weight of 329.19 g/mol. Its IUPAC name is (6-bromo-3-methyl-1-benzofuran-2-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(6-bromo-3-methyl-1-benzofuran-2-yl)-(4-methylphenyl)methanone
PubChem CID102949358
Molecular FormulaC17H13BrO2
Molecular Weight329.19 g/mol
Exact Mass328.01
IUPAC Name(6-bromo-3-methyl-1-benzofuran-2-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2oc3cc(Br)ccc3c2C)cc1
InChIInChI=1S/C17H13BrO2/c1-10-3-5-12(6-4-10)16(19)17-11(2)14-8-7-13(18)9-15(14)20-17/h3-9H,1-2H3
InChIKeyLOTUGTDHLVWJFJ-UHFFFAOYSA-N
XLogP5.04
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.19
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (6-bromo-3-methyl-1-benzofuran-2-yl)-(4-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

Frequently Asked Questions

What is the IUPAC name of (6-bromo-3-methyl-1-benzofuran-2-yl)-(4-methylphenyl)methanone?
The IUPAC name of (6-bromo-3-methyl-1-benzofuran-2-yl)-(4-methylphenyl)methanone (CID 102949358) is (6-bromo-3-methyl-1-benzofuran-2-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (6-bromo-3-methyl-1-benzofuran-2-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (6-bromo-3-methyl-1-benzofuran-2-yl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2oc3cc(Br)ccc3c2C)cc1.
What is the InChIKey of (6-bromo-3-methyl-1-benzofuran-2-yl)-(4-methylphenyl)methanone?
The InChIKey is LOTUGTDHLVWJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrO2/c1-10-3-5-12(6-4-10)16(19)17-11(2)14-8-7-13(18)9-15(14)20-17/h3-9H,1-2H3.
What are the key properties of (6-bromo-3-methyl-1-benzofuran-2-yl)-(4-methylphenyl)methanone?
(6-bromo-3-methyl-1-benzofuran-2-yl)-(4-methylphenyl)methanone has a molecular weight of 329.19 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-3-methyl-1-benzofuran-2-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 102949358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).