3-ethyl-3-methyl-2H-1-benzofuran

C11H14O — CID 145054107

IUPAC3-ethyl-3-methyl-2H-1-benzofuran
SMILESCCC1(C)COc2ccccc21
InChIInChI=1S/C11H14O/c1-3-11(2)8-12-10-7-5-4-6-9(10)11/h4-7H,3,8H2,1-2H3
InChIKeyLQBNXMVMYCUBES-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.75
Rot. Bonds1

About 3-ethyl-3-methyl-2H-1-benzofuran

3-ethyl-3-methyl-2H-1-benzofuran (PubChem CID 145054107) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 3-ethyl-3-methyl-2H-1-benzofuran.

Molecular Properties

Compound Name3-ethyl-3-methyl-2H-1-benzofuran
PubChem CID145054107
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name3-ethyl-3-methyl-2H-1-benzofuran
SMILESCCC1(C)COc2ccccc21
InChIInChI=1S/C11H14O/c1-3-11(2)8-12-10-7-5-4-6-9(10)11/h4-7H,3,8H2,1-2H3
InChIKeyLQBNXMVMYCUBES-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-2H-1-benzofuran?
The IUPAC name of 3-ethyl-3-methyl-2H-1-benzofuran (CID 145054107) is 3-ethyl-3-methyl-2H-1-benzofuran.
What is the SMILES notation for 3-ethyl-3-methyl-2H-1-benzofuran?
The canonical SMILES for 3-ethyl-3-methyl-2H-1-benzofuran is CCC1(C)COc2ccccc21.
What is the InChIKey of 3-ethyl-3-methyl-2H-1-benzofuran?
The InChIKey is LQBNXMVMYCUBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-3-11(2)8-12-10-7-5-4-6-9(10)11/h4-7H,3,8H2,1-2H3.
What are the key properties of 3-ethyl-3-methyl-2H-1-benzofuran?
3-ethyl-3-methyl-2H-1-benzofuran has a molecular weight of 162.23 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-2H-1-benzofuran is sourced from PubChem (CID 145054107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).