(3-bromo-2-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone

C16H10BrClO2 — CID 115808186

IUPAC(3-bromo-2-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone
SMILESCc1ccc2oc(C(=O)c3cccc(Br)c3Cl)cc2c1
InChIInChI=1S/C16H10BrClO2/c1-9-5-6-13-10(7-9)8-14(20-13)16(19)11-3-2-4-12(17)15(11)18/h2-8H,1H3
InChIKeyUYSZRDRNQHQNKH-UHFFFAOYSA-N
MW349.61 g/mol
LogP5.39
Rot. Bonds2

About (3-bromo-2-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone

(3-bromo-2-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone (PubChem CID 115808186) has the molecular formula C16H10BrClO2 and a molecular weight of 349.61 g/mol. Its IUPAC name is (3-bromo-2-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(3-bromo-2-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone
PubChem CID115808186
Molecular FormulaC16H10BrClO2
Molecular Weight349.61 g/mol
Exact Mass347.96
IUPAC Name(3-bromo-2-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone
SMILESCc1ccc2oc(C(=O)c3cccc(Br)c3Cl)cc2c1
InChIInChI=1S/C16H10BrClO2/c1-9-5-6-13-10(7-9)8-14(20-13)16(19)11-3-2-4-12(17)15(11)18/h2-8H,1H3
InChIKeyUYSZRDRNQHQNKH-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

(2,3-dichlorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 115807979
(2-bromo-5-methylphenyl)-(5-chloro-1-benzofuran-2-yl)methanone
CID 115808561
(2-chlorofuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 106691307
(2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 115808106
(5-bromo-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone
CID 29076010
1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 15549614
methyl 3-(5-methyl-1-benzofuran-2-carbonyl)azulene-1-carboxylate
CID 10882473
N-(2-amino-6-chlorophenyl)-5-methyl-1-benzofuran-2-carboxamide
CID 62084978
(4-methoxy-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 105084721
1-(5-methyl-1-benzofuran-2-yl)prop-2-yn-1-one
CID 105108138
(2-fluoro-4-methoxyphenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 114725880
(3-bromo-2-chlorophenyl)-(2,3-dimethylphenyl)methanone
CID 114970193

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of (3-bromo-2-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone (CID 115808186) is (3-bromo-2-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (3-bromo-2-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for (3-bromo-2-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone is Cc1ccc2oc(C(=O)c3cccc(Br)c3Cl)cc2c1.
What is the InChIKey of (3-bromo-2-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is UYSZRDRNQHQNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrClO2/c1-9-5-6-13-10(7-9)8-14(20-13)16(19)11-3-2-4-12(17)15(11)18/h2-8H,1H3.
What are the key properties of (3-bromo-2-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone?
(3-bromo-2-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)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 (3-bromo-2-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 115808186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).