6-methoxy-2,2-dimethyl-3H-1-benzofuran

C11H14O2 — CID 102042545

IUPAC6-methoxy-2,2-dimethyl-3H-1-benzofuran
SMILESCOc1ccc2c(c1)OC(C)(C)C2
InChIInChI=1S/C11H14O2/c1-11(2)7-8-4-5-9(12-3)6-10(8)13-11/h4-6H,7H2,1-3H3
InChIKeyABAMCAXTFZBYFE-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.41
Rot. Bonds1

About 6-methoxy-2,2-dimethyl-3H-1-benzofuran

6-methoxy-2,2-dimethyl-3H-1-benzofuran (PubChem CID 102042545) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 6-methoxy-2,2-dimethyl-3H-1-benzofuran.

Molecular Properties

Compound Name6-methoxy-2,2-dimethyl-3H-1-benzofuran
PubChem CID102042545
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name6-methoxy-2,2-dimethyl-3H-1-benzofuran
SMILESCOc1ccc2c(c1)OC(C)(C)C2
InChIInChI=1S/C11H14O2/c1-11(2)7-8-4-5-9(12-3)6-10(8)13-11/h4-6H,7H2,1-3H3
InChIKeyABAMCAXTFZBYFE-UHFFFAOYSA-N
XLogP2.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,2-dimethyl-3H-1-benzofuran?
The IUPAC name of 6-methoxy-2,2-dimethyl-3H-1-benzofuran (CID 102042545) is 6-methoxy-2,2-dimethyl-3H-1-benzofuran.
What is the SMILES notation for 6-methoxy-2,2-dimethyl-3H-1-benzofuran?
The canonical SMILES for 6-methoxy-2,2-dimethyl-3H-1-benzofuran is COc1ccc2c(c1)OC(C)(C)C2.
What is the InChIKey of 6-methoxy-2,2-dimethyl-3H-1-benzofuran?
The InChIKey is ABAMCAXTFZBYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-11(2)7-8-4-5-9(12-3)6-10(8)13-11/h4-6H,7H2,1-3H3.
What are the key properties of 6-methoxy-2,2-dimethyl-3H-1-benzofuran?
6-methoxy-2,2-dimethyl-3H-1-benzofuran has a molecular weight of 178.23 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,2-dimethyl-3H-1-benzofuran is sourced from PubChem (CID 102042545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).