2,7-dimethoxy-3-methyl-1-benzofuran

C11H12O3 — CID 70144170

IUPAC2,7-dimethoxy-3-methyl-1-benzofuran
SMILESCOc1oc2c(OC)cccc2c1C
InChIInChI=1S/C11H12O3/c1-7-8-5-4-6-9(12-2)10(8)14-11(7)13-3/h4-6H,1-3H3
InChIKeyTVEKLGRKHVRYSK-UHFFFAOYSA-N
MW192.21 g/mol
LogP2.76
Rot. Bonds2

About 2,7-dimethoxy-3-methyl-1-benzofuran

2,7-dimethoxy-3-methyl-1-benzofuran (PubChem CID 70144170) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 2,7-dimethoxy-3-methyl-1-benzofuran.

Molecular Properties

Compound Name2,7-dimethoxy-3-methyl-1-benzofuran
PubChem CID70144170
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name2,7-dimethoxy-3-methyl-1-benzofuran
SMILESCOc1oc2c(OC)cccc2c1C
InChIInChI=1S/C11H12O3/c1-7-8-5-4-6-9(12-2)10(8)14-11(7)13-3/h4-6H,1-3H3
InChIKeyTVEKLGRKHVRYSK-UHFFFAOYSA-N
XLogP2.76
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethoxy-3-methyl-1-benzofuran?
The IUPAC name of 2,7-dimethoxy-3-methyl-1-benzofuran (CID 70144170) is 2,7-dimethoxy-3-methyl-1-benzofuran.
What is the SMILES notation for 2,7-dimethoxy-3-methyl-1-benzofuran?
The canonical SMILES for 2,7-dimethoxy-3-methyl-1-benzofuran is COc1oc2c(OC)cccc2c1C.
What is the InChIKey of 2,7-dimethoxy-3-methyl-1-benzofuran?
The InChIKey is TVEKLGRKHVRYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-7-8-5-4-6-9(12-2)10(8)14-11(7)13-3/h4-6H,1-3H3.
What are the key properties of 2,7-dimethoxy-3-methyl-1-benzofuran?
2,7-dimethoxy-3-methyl-1-benzofuran has a molecular weight of 192.21 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethoxy-3-methyl-1-benzofuran is sourced from PubChem (CID 70144170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).