(4-bromothiophen-2-yl)-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone

C15H11BrO3S — CID 107355101

IUPAC(4-bromothiophen-2-yl)-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone
SMILESCOc1ccc2oc(C(=O)c3cc(Br)cs3)c(C)c2c1
InChIInChI=1S/C15H11BrO3S/c1-8-11-6-10(18-2)3-4-12(11)19-15(8)14(17)13-5-9(16)7-20-13/h3-7H,1-2H3
InChIKeyCYFAIRZLRTWGAA-UHFFFAOYSA-N
MW351.22 g/mol
LogP4.80
Rot. Bonds3

About (4-bromothiophen-2-yl)-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone

(4-bromothiophen-2-yl)-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone (PubChem CID 107355101) has the molecular formula C15H11BrO3S and a molecular weight of 351.22 g/mol. Its IUPAC name is (4-bromothiophen-2-yl)-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(4-bromothiophen-2-yl)-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone
PubChem CID107355101
Molecular FormulaC15H11BrO3S
Molecular Weight351.22 g/mol
Exact Mass349.96
IUPAC Name(4-bromothiophen-2-yl)-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone
SMILESCOc1ccc2oc(C(=O)c3cc(Br)cs3)c(C)c2c1
InChIInChI=1S/C15H11BrO3S/c1-8-11-6-10(18-2)3-4-12(11)19-15(8)14(17)13-5-9(16)7-20-13/h3-7H,1-2H3
InChIKeyCYFAIRZLRTWGAA-UHFFFAOYSA-N
XLogP4.80
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromothiophen-2-yl)-(3,5-dimethyl-1-benzofuran-2-yl)methanone
CID 107355103
N'-(5-bromothiophene-2-carbonyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 9090843
(4-bromo-2-chlorophenyl) 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7934889
N-(3,5-dimethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 7959819
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7186993
N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 17451313
5-methoxy-3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 8913378
N'-benzoyl-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 51155700
5-bromo-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 2085590
5-methoxy-3-methyl-N'-phenyl-1-benzofuran-2-carbohydrazide
CID 78774610
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 51318737
N-(3-acetamido-2-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 134019144

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-2-yl)-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of (4-bromothiophen-2-yl)-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone (CID 107355101) is (4-bromothiophen-2-yl)-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (4-bromothiophen-2-yl)-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for (4-bromothiophen-2-yl)-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone is COc1ccc2oc(C(=O)c3cc(Br)cs3)c(C)c2c1.
What is the InChIKey of (4-bromothiophen-2-yl)-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is CYFAIRZLRTWGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrO3S/c1-8-11-6-10(18-2)3-4-12(11)19-15(8)14(17)13-5-9(16)7-20-13/h3-7H,1-2H3.
What are the key properties of (4-bromothiophen-2-yl)-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone?
(4-bromothiophen-2-yl)-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 351.22 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-2-yl)-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 107355101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).