(2-bromo-6-methyl-1-benzofuran-3-yl)-(3-methoxy-4,5-dimethylphenyl)methanone

C19H17BrO3 — CID 58284121

IUPAC(2-bromo-6-methyl-1-benzofuran-3-yl)-(3-methoxy-4,5-dimethylphenyl)methanone
SMILESCOc1cc(C(=O)c2c(Br)oc3cc(C)ccc23)cc(C)c1C
InChIInChI=1S/C19H17BrO3/c1-10-5-6-14-16(7-10)23-19(20)17(14)18(21)13-8-11(2)12(3)15(9-13)22-4/h5-9H,1-4H3
InChIKeyBWWWWRSNLUKDCY-UHFFFAOYSA-N
MW373.25 g/mol
LogP5.36
Rot. Bonds3

About (2-bromo-6-methyl-1-benzofuran-3-yl)-(3-methoxy-4,5-dimethylphenyl)methanone

(2-bromo-6-methyl-1-benzofuran-3-yl)-(3-methoxy-4,5-dimethylphenyl)methanone (PubChem CID 58284121) has the molecular formula C19H17BrO3 and a molecular weight of 373.25 g/mol. Its IUPAC name is (2-bromo-6-methyl-1-benzofuran-3-yl)-(3-methoxy-4,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(2-bromo-6-methyl-1-benzofuran-3-yl)-(3-methoxy-4,5-dimethylphenyl)methanone
PubChem CID58284121
Molecular FormulaC19H17BrO3
Molecular Weight373.25 g/mol
Exact Mass372.04
IUPAC Name(2-bromo-6-methyl-1-benzofuran-3-yl)-(3-methoxy-4,5-dimethylphenyl)methanone
SMILESCOc1cc(C(=O)c2c(Br)oc3cc(C)ccc23)cc(C)c1C
InChIInChI=1S/C19H17BrO3/c1-10-5-6-14-16(7-10)23-19(20)17(14)18(21)13-8-11(2)12(3)15(9-13)22-4/h5-9H,1-4H3
InChIKeyBWWWWRSNLUKDCY-UHFFFAOYSA-N
XLogP5.36
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.25
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(dimethylamino)-7-hydroxy-6-methyl-1-benzofuran-3-yl]-(3-methoxy-4,5-dimethylphenyl)methanone
CID 67968982
(7-hydroxy-6-methyl-1-benzofuran-3-yl)-(3-methoxy-4,5-dimethylphenyl)methanone
CID 67968961
(3,5-dibromophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 107976766
dimethyl 6-methyl-1-benzofuran-2,3-dicarboxylate
CID 13381524
[5-(3,5-dimethylbenzoyl)-2,6-dimethoxynaphthalen-1-yl]-(3,5-dimethylphenyl)methanone
CID 132559325
5-[7-hydroxy-3-(3-methoxy-4,5-dimethylbenzoyl)-6-methyl-1-benzofuran-2-yl]thiophene-2-carbaldehyde
CID 89280917
methyl 3,6-dimethyl-1-benzofuran-2-carboxylate
CID 2144725
[7-fluoro-6-methyl-2-(1-methylpyrazol-4-yl)-1-benzofuran-3-yl]-(3-methoxy-4,5-dimethylphenyl)methanone
CID 71106241
disodium;[2-(furan-2-yl)-3-(3-methoxy-4,5-dimethylbenzoyl)-6-methyl-1-benzofuran-7-yl] phosphate
CID 159948337
2-amino-1-(3-methoxy-4,5-dimethylphenyl)ethanone
CID 117283793
(4-chloro-3-methoxyphenyl)-(2,5-dimethylphenyl)methanone
CID 115781783
3-amino-1-(3-methoxy-4,5-dimethylphenyl)propan-1-one
CID 117295954

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-methyl-1-benzofuran-3-yl)-(3-methoxy-4,5-dimethylphenyl)methanone?
The IUPAC name of (2-bromo-6-methyl-1-benzofuran-3-yl)-(3-methoxy-4,5-dimethylphenyl)methanone (CID 58284121) is (2-bromo-6-methyl-1-benzofuran-3-yl)-(3-methoxy-4,5-dimethylphenyl)methanone.
What is the SMILES notation for (2-bromo-6-methyl-1-benzofuran-3-yl)-(3-methoxy-4,5-dimethylphenyl)methanone?
The canonical SMILES for (2-bromo-6-methyl-1-benzofuran-3-yl)-(3-methoxy-4,5-dimethylphenyl)methanone is COc1cc(C(=O)c2c(Br)oc3cc(C)ccc23)cc(C)c1C.
What is the InChIKey of (2-bromo-6-methyl-1-benzofuran-3-yl)-(3-methoxy-4,5-dimethylphenyl)methanone?
The InChIKey is BWWWWRSNLUKDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrO3/c1-10-5-6-14-16(7-10)23-19(20)17(14)18(21)13-8-11(2)12(3)15(9-13)22-4/h5-9H,1-4H3.
What are the key properties of (2-bromo-6-methyl-1-benzofuran-3-yl)-(3-methoxy-4,5-dimethylphenyl)methanone?
(2-bromo-6-methyl-1-benzofuran-3-yl)-(3-methoxy-4,5-dimethylphenyl)methanone has a molecular weight of 373.25 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-methyl-1-benzofuran-3-yl)-(3-methoxy-4,5-dimethylphenyl)methanone is sourced from PubChem (CID 58284121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).