(5-bromo-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone

C17H13BrO3 — CID 29076010

IUPAC(5-bromo-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone
SMILESCOc1ccc(C)cc1C(=O)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C17H13BrO3/c1-10-3-5-15(20-2)13(7-10)17(19)16-9-11-8-12(18)4-6-14(11)21-16/h3-9H,1-2H3
InChIKeyAAPCVFXGWHPDHJ-UHFFFAOYSA-N
MW345.19 g/mol
LogP4.74
Rot. Bonds3

About (5-bromo-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone

(5-bromo-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone (PubChem CID 29076010) has the molecular formula C17H13BrO3 and a molecular weight of 345.19 g/mol. Its IUPAC name is (5-bromo-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone
PubChem CID29076010
Molecular FormulaC17H13BrO3
Molecular Weight345.19 g/mol
Exact Mass344.00
IUPAC Name(5-bromo-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone
SMILESCOc1ccc(C)cc1C(=O)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C17H13BrO3/c1-10-3-5-15(20-2)13(7-10)17(19)16-9-11-8-12(18)4-6-14(11)21-16/h3-9H,1-2H3
InChIKeyAAPCVFXGWHPDHJ-UHFFFAOYSA-N
XLogP4.74
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.19
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxy-5-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 115957340
(2-methoxy-5-methylphenyl)-(5-methylfuran-2-yl)methanone
CID 43626038
(2-bromo-5-methylphenyl)-(5-chloro-1-benzofuran-2-yl)methanone
CID 115808561
(4-methoxy-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 105084721
(4-chloro-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone
CID 114321301
(5-bromo-2-methoxyphenyl)-(2,6-dimethoxyphenyl)methanone
CID 43339938
(2-fluoro-4-methoxyphenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 114725880
3-(5-bromo-1-benzofuran-2-carbonyl)-2-(3,4-dimethoxyphenyl)-4-hydroxy-1-(6-methyl-1H-benzimidazol-2-yl)-2H-pyrrol-5-one
CID 108701688
(3,5-dibromophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 107976766
(2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 115808106
5-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 46437931
(3-bromo-2-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 115808186

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone?
The IUPAC name of (5-bromo-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone (CID 29076010) is (5-bromo-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone.
What is the SMILES notation for (5-bromo-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone?
The canonical SMILES for (5-bromo-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone is COc1ccc(C)cc1C(=O)c1cc2cc(Br)ccc2o1.
What is the InChIKey of (5-bromo-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone?
The InChIKey is AAPCVFXGWHPDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrO3/c1-10-3-5-15(20-2)13(7-10)17(19)16-9-11-8-12(18)4-6-14(11)21-16/h3-9H,1-2H3.
What are the key properties of (5-bromo-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone?
(5-bromo-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone has a molecular weight of 345.19 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone is sourced from PubChem (CID 29076010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).