(5-bromo-3-methyl-1-benzofuran-2-yl)-(3,4-dichlorophenyl)methanone

C16H9BrCl2O2 — CID 2767305

IUPAC(5-bromo-3-methyl-1-benzofuran-2-yl)-(3,4-dichlorophenyl)methanone
SMILESCc1c(C(=O)c2ccc(Cl)c(Cl)c2)oc2ccc(Br)cc12
InChIInChI=1S/C16H9BrCl2O2/c1-8-11-7-10(17)3-5-14(11)21-16(8)15(20)9-2-4-12(18)13(19)6-9/h2-7H,1H3
InChIKeyWFJXGULLLXDFRX-UHFFFAOYSA-N
MW384.06 g/mol
LogP6.04
Rot. Bonds2

About (5-bromo-3-methyl-1-benzofuran-2-yl)-(3,4-dichlorophenyl)methanone

(5-bromo-3-methyl-1-benzofuran-2-yl)-(3,4-dichlorophenyl)methanone (PubChem CID 2767305) has the molecular formula C16H9BrCl2O2 and a molecular weight of 384.06 g/mol. Its IUPAC name is (5-bromo-3-methyl-1-benzofuran-2-yl)-(3,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name(5-bromo-3-methyl-1-benzofuran-2-yl)-(3,4-dichlorophenyl)methanone
PubChem CID2767305
Molecular FormulaC16H9BrCl2O2
Molecular Weight384.06 g/mol
Exact Mass381.92
IUPAC Name(5-bromo-3-methyl-1-benzofuran-2-yl)-(3,4-dichlorophenyl)methanone
SMILESCc1c(C(=O)c2ccc(Cl)c(Cl)c2)oc2ccc(Br)cc12
InChIInChI=1S/C16H9BrCl2O2/c1-8-11-7-10(17)3-5-14(11)21-16(8)15(20)9-2-4-12(18)13(19)6-9/h2-7H,1H3
InChIKeyWFJXGULLLXDFRX-UHFFFAOYSA-N
XLogP6.04
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.06
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-3-methyl-1-benzofuran-2-yl)-(3-bromophenyl)methanone
CID 28880631
(5-bromo-3-methyl-1-benzofuran-2-yl)-(4-iodophenyl)methanone
CID 103606800
(3,4-dichlorophenyl)-(3,6-dimethyl-1-benzofuran-2-yl)methanone
CID 60706257
(3-bromophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 60706471
(3-chloro-4-fluorophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 63549321
methyl 3-[(5-bromo-3-methyl-1-benzofuran-2-carbonyl)amino]-4-chlorobenzoate
CID 18273257
(5-bromofuran-2-yl)-(5-bromo-3-methyl-1-benzofuran-2-yl)methanone
CID 113437676
(6-bromo-3-methyl-1-benzofuran-2-yl)-(3-chlorophenyl)methanone
CID 102949391
(6-bromo-3-methyl-1-benzofuran-2-yl)-(4-methylphenyl)methanone
CID 102949358
(5-bromo-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanone
CID 28880635
5-bromo-3-methyl-2-prop-1-en-2-yl-1-benzofuran
CID 143831070
N-(4-acetylphenyl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide
CID 2115784

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyl-1-benzofuran-2-yl)-(3,4-dichlorophenyl)methanone?
The IUPAC name of (5-bromo-3-methyl-1-benzofuran-2-yl)-(3,4-dichlorophenyl)methanone (CID 2767305) is (5-bromo-3-methyl-1-benzofuran-2-yl)-(3,4-dichlorophenyl)methanone.
What is the SMILES notation for (5-bromo-3-methyl-1-benzofuran-2-yl)-(3,4-dichlorophenyl)methanone?
The canonical SMILES for (5-bromo-3-methyl-1-benzofuran-2-yl)-(3,4-dichlorophenyl)methanone is Cc1c(C(=O)c2ccc(Cl)c(Cl)c2)oc2ccc(Br)cc12.
What is the InChIKey of (5-bromo-3-methyl-1-benzofuran-2-yl)-(3,4-dichlorophenyl)methanone?
The InChIKey is WFJXGULLLXDFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrCl2O2/c1-8-11-7-10(17)3-5-14(11)21-16(8)15(20)9-2-4-12(18)13(19)6-9/h2-7H,1H3.
What are the key properties of (5-bromo-3-methyl-1-benzofuran-2-yl)-(3,4-dichlorophenyl)methanone?
(5-bromo-3-methyl-1-benzofuran-2-yl)-(3,4-dichlorophenyl)methanone has a molecular weight of 384.06 g/mol, XLogP of 6.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyl-1-benzofuran-2-yl)-(3,4-dichlorophenyl)methanone is sourced from PubChem (CID 2767305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).