6-ethyl-3-methyl-1-benzofuran

C11H12O — CID 45122551

IUPAC6-ethyl-3-methyl-1-benzofuran
SMILESCCc1ccc2c(C)coc2c1
InChIInChI=1S/C11H12O/c1-3-9-4-5-10-8(2)7-12-11(10)6-9/h4-7H,3H2,1-2H3
InChIKeyXGCFCLZKKAXPCC-UHFFFAOYSA-N
MW160.22 g/mol
LogP3.30
Rot. Bonds1

About 6-ethyl-3-methyl-1-benzofuran

6-ethyl-3-methyl-1-benzofuran (PubChem CID 45122551) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is 6-ethyl-3-methyl-1-benzofuran.

Molecular Properties

Compound Name6-ethyl-3-methyl-1-benzofuran
PubChem CID45122551
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name6-ethyl-3-methyl-1-benzofuran
SMILESCCc1ccc2c(C)coc2c1
InChIInChI=1S/C11H12O/c1-3-9-4-5-10-8(2)7-12-11(10)6-9/h4-7H,3H2,1-2H3
InChIKeyXGCFCLZKKAXPCC-UHFFFAOYSA-N
XLogP3.30
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methyl-1-benzofuran?
The IUPAC name of 6-ethyl-3-methyl-1-benzofuran (CID 45122551) is 6-ethyl-3-methyl-1-benzofuran.
What is the SMILES notation for 6-ethyl-3-methyl-1-benzofuran?
The canonical SMILES for 6-ethyl-3-methyl-1-benzofuran is CCc1ccc2c(C)coc2c1.
What is the InChIKey of 6-ethyl-3-methyl-1-benzofuran?
The InChIKey is XGCFCLZKKAXPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O/c1-3-9-4-5-10-8(2)7-12-11(10)6-9/h4-7H,3H2,1-2H3.
What are the key properties of 6-ethyl-3-methyl-1-benzofuran?
6-ethyl-3-methyl-1-benzofuran has a molecular weight of 160.22 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methyl-1-benzofuran is sourced from PubChem (CID 45122551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).