4,6-dimethoxy-1-benzofuran

C10H10O3 — CID 91400161

IUPAC4,6-dimethoxy-1-benzofuran
SMILESCOc1cc(OC)c2ccoc2c1
InChIInChI=1S/C10H10O3/c1-11-7-5-9(12-2)8-3-4-13-10(8)6-7/h3-6H,1-2H3
InChIKeyKJQBVSLIHABWKY-UHFFFAOYSA-N
MW178.19 g/mol
LogP2.45
Rot. Bonds2

About 4,6-dimethoxy-1-benzofuran

4,6-dimethoxy-1-benzofuran (PubChem CID 91400161) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 4,6-dimethoxy-1-benzofuran.

Molecular Properties

Compound Name4,6-dimethoxy-1-benzofuran
PubChem CID91400161
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name4,6-dimethoxy-1-benzofuran
SMILESCOc1cc(OC)c2ccoc2c1
InChIInChI=1S/C10H10O3/c1-11-7-5-9(12-2)8-3-4-13-10(8)6-7/h3-6H,1-2H3
InChIKeyKJQBVSLIHABWKY-UHFFFAOYSA-N
XLogP2.45
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Trimethylpsoralen
CID 5585
Bergapten
CID 2355
Psoralen
CID 6199
Isopsoralen
CID 10658
Benzofuran
CID 9223
Isoimperatorin
CID 68081
Khellin
CID 3828
5,7-Dimethoxyflavone
CID 88881
Isobergapten
CID 68082
Bergamottin
CID 5471349
Bergaptol
CID 5280371
Visnagin
CID 6716

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-1-benzofuran?
The IUPAC name of 4,6-dimethoxy-1-benzofuran (CID 91400161) is 4,6-dimethoxy-1-benzofuran.
What is the SMILES notation for 4,6-dimethoxy-1-benzofuran?
The canonical SMILES for 4,6-dimethoxy-1-benzofuran is COc1cc(OC)c2ccoc2c1.
What is the InChIKey of 4,6-dimethoxy-1-benzofuran?
The InChIKey is KJQBVSLIHABWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c1-11-7-5-9(12-2)8-3-4-13-10(8)6-7/h3-6H,1-2H3.
What are the key properties of 4,6-dimethoxy-1-benzofuran?
4,6-dimethoxy-1-benzofuran has a molecular weight of 178.19 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-1-benzofuran is sourced from PubChem (CID 91400161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).