6-bromo-5-methoxy-3-methyl-1-benzofuran

C10H9BrO2 — CID 174145354

IUPAC6-bromo-5-methoxy-3-methyl-1-benzofuran
SMILESCOc1cc2c(C)coc2cc1Br
InChIInChI=1S/C10H9BrO2/c1-6-5-13-9-4-8(11)10(12-2)3-7(6)9/h3-5H,1-2H3
InChIKeyQQSLPBOWPWVGKX-UHFFFAOYSA-N
MW241.08 g/mol
LogP3.51
Rot. Bonds1

About 6-bromo-5-methoxy-3-methyl-1-benzofuran

6-bromo-5-methoxy-3-methyl-1-benzofuran (PubChem CID 174145354) has the molecular formula C10H9BrO2 and a molecular weight of 241.08 g/mol. Its IUPAC name is 6-bromo-5-methoxy-3-methyl-1-benzofuran.

Molecular Properties

Compound Name6-bromo-5-methoxy-3-methyl-1-benzofuran
PubChem CID174145354
Molecular FormulaC10H9BrO2
Molecular Weight241.08 g/mol
Exact Mass239.98
IUPAC Name6-bromo-5-methoxy-3-methyl-1-benzofuran
SMILESCOc1cc2c(C)coc2cc1Br
InChIInChI=1S/C10H9BrO2/c1-6-5-13-9-4-8(11)10(12-2)3-7(6)9/h3-5H,1-2H3
InChIKeyQQSLPBOWPWVGKX-UHFFFAOYSA-N
XLogP3.51
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.08
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-bromo-6,7-dimethoxychromen-4-one
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CID 130050439
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1-bromo-5-fluoro-2-methoxy-4-methylbenzene
CID 57022351
4-bromo-5-methoxy-2-methylbenzenesulfonamide
CID 154254262
1-bromo-4-methoxy-2,5-dimethylbenzene;hydrobromide
CID 157211395
5-bromo-3-methoxy-1-benzofuran
CID 83823580
4-bromo-5-methoxy-2-methylbenzoyl chloride
CID 171004599
4-bromo-5-methoxy-2-methylbenzamide
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CID 84803061

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-methoxy-3-methyl-1-benzofuran?
The IUPAC name of 6-bromo-5-methoxy-3-methyl-1-benzofuran (CID 174145354) is 6-bromo-5-methoxy-3-methyl-1-benzofuran.
What is the SMILES notation for 6-bromo-5-methoxy-3-methyl-1-benzofuran?
The canonical SMILES for 6-bromo-5-methoxy-3-methyl-1-benzofuran is COc1cc2c(C)coc2cc1Br.
What is the InChIKey of 6-bromo-5-methoxy-3-methyl-1-benzofuran?
The InChIKey is QQSLPBOWPWVGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO2/c1-6-5-13-9-4-8(11)10(12-2)3-7(6)9/h3-5H,1-2H3.
What are the key properties of 6-bromo-5-methoxy-3-methyl-1-benzofuran?
6-bromo-5-methoxy-3-methyl-1-benzofuran has a molecular weight of 241.08 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-methoxy-3-methyl-1-benzofuran is sourced from PubChem (CID 174145354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).