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

C16H10BrClO2 — CID 102949391

IUPAC(6-bromo-3-methyl-1-benzofuran-2-yl)-(3-chlorophenyl)methanone
SMILESCc1c(C(=O)c2cccc(Cl)c2)oc2cc(Br)ccc12
InChIInChI=1S/C16H10BrClO2/c1-9-13-6-5-11(17)8-14(13)20-16(9)15(19)10-3-2-4-12(18)7-10/h2-8H,1H3
InChIKeySHJSDTIFENXBJR-UHFFFAOYSA-N
MW349.61 g/mol
LogP5.39
Rot. Bonds2

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

(6-bromo-3-methyl-1-benzofuran-2-yl)-(3-chlorophenyl)methanone (PubChem CID 102949391) has the molecular formula C16H10BrClO2 and a molecular weight of 349.61 g/mol. Its IUPAC name is (6-bromo-3-methyl-1-benzofuran-2-yl)-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name(6-bromo-3-methyl-1-benzofuran-2-yl)-(3-chlorophenyl)methanone
PubChem CID102949391
Molecular FormulaC16H10BrClO2
Molecular Weight349.61 g/mol
Exact Mass347.96
IUPAC Name(6-bromo-3-methyl-1-benzofuran-2-yl)-(3-chlorophenyl)methanone
SMILESCc1c(C(=O)c2cccc(Cl)c2)oc2cc(Br)ccc12
InChIInChI=1S/C16H10BrClO2/c1-9-13-6-5-11(17)8-14(13)20-16(9)15(19)10-3-2-4-12(18)7-10/h2-8H,1H3
InChIKeySHJSDTIFENXBJR-UHFFFAOYSA-N
XLogP5.39
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.61
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 60706471
(6-bromo-3-methyl-1-benzofuran-2-yl)-(4-methylphenyl)methanone
CID 102949358
(3-bromo-4-fluorophenyl)-(6-bromo-3-methyl-1-benzofuran-2-yl)methanone
CID 102949376
(5-bromo-3-methyl-1-benzofuran-2-yl)-(3-bromophenyl)methanone
CID 28880631
(5-bromo-3-methyl-1-benzofuran-2-yl)-(3,4-dichlorophenyl)methanone
CID 2767305
4-bromo-N-[2-(4-chlorobenzoyl)-3-methyl-1-benzofuran-6-yl]benzamide
CID 18568645
(6-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dimethylphenyl)methanone
CID 102949361
(2-amino-4-bromophenyl)-(3-chlorophenyl)methanone
CID 116591876
(3,4-dichlorophenyl)-(3,6-dimethyl-1-benzofuran-2-yl)methanone
CID 60706257
(5-bromo-2-ethoxyphenyl)-(3-chlorophenyl)methanone
CID 43311306
(6-bromo-3-methyl-1-benzofuran-2-yl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102949397
(5-bromo-3-methyl-1-benzofuran-2-yl)-(4-iodophenyl)methanone
CID 103606800

Frequently Asked Questions

What is the IUPAC name of (6-bromo-3-methyl-1-benzofuran-2-yl)-(3-chlorophenyl)methanone?
The IUPAC name of (6-bromo-3-methyl-1-benzofuran-2-yl)-(3-chlorophenyl)methanone (CID 102949391) is (6-bromo-3-methyl-1-benzofuran-2-yl)-(3-chlorophenyl)methanone.
What is the SMILES notation for (6-bromo-3-methyl-1-benzofuran-2-yl)-(3-chlorophenyl)methanone?
The canonical SMILES for (6-bromo-3-methyl-1-benzofuran-2-yl)-(3-chlorophenyl)methanone is Cc1c(C(=O)c2cccc(Cl)c2)oc2cc(Br)ccc12.
What is the InChIKey of (6-bromo-3-methyl-1-benzofuran-2-yl)-(3-chlorophenyl)methanone?
The InChIKey is SHJSDTIFENXBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrClO2/c1-9-13-6-5-11(17)8-14(13)20-16(9)15(19)10-3-2-4-12(18)7-10/h2-8H,1H3.
What are the key properties of (6-bromo-3-methyl-1-benzofuran-2-yl)-(3-chlorophenyl)methanone?
(6-bromo-3-methyl-1-benzofuran-2-yl)-(3-chlorophenyl)methanone has a molecular weight of 349.61 g/mol, XLogP of 5.39, 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)-(3-chlorophenyl)methanone is sourced from PubChem (CID 102949391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).