1,3-dimethoxy-1,3-dihydro-2-benzofuran

C10H12O3 — CID 11629690

IUPAC1,3-dimethoxy-1,3-dihydro-2-benzofuran
SMILESCOC1OC(OC)c2ccccc21
InChIInChI=1S/C10H12O3/c1-11-9-7-5-3-4-6-8(7)10(12-2)13-9/h3-6,9-10H,1-2H3
InChIKeyWAGIYFLDSNLPML-UHFFFAOYSA-N
MW180.20 g/mol
LogP2.01
Rot. Bonds2

About 1,3-dimethoxy-1,3-dihydro-2-benzofuran

1,3-dimethoxy-1,3-dihydro-2-benzofuran (PubChem CID 11629690) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 1,3-dimethoxy-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name1,3-dimethoxy-1,3-dihydro-2-benzofuran
PubChem CID11629690
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name1,3-dimethoxy-1,3-dihydro-2-benzofuran
SMILESCOC1OC(OC)c2ccccc21
InChIInChI=1S/C10H12O3/c1-11-9-7-5-3-4-6-8(7)10(12-2)13-9/h3-6,9-10H,1-2H3
InChIKeyWAGIYFLDSNLPML-UHFFFAOYSA-N
XLogP2.01
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-1,3-dihydro-2-benzofuran?
The IUPAC name of 1,3-dimethoxy-1,3-dihydro-2-benzofuran (CID 11629690) is 1,3-dimethoxy-1,3-dihydro-2-benzofuran.
What is the SMILES notation for 1,3-dimethoxy-1,3-dihydro-2-benzofuran?
The canonical SMILES for 1,3-dimethoxy-1,3-dihydro-2-benzofuran is COC1OC(OC)c2ccccc21.
What is the InChIKey of 1,3-dimethoxy-1,3-dihydro-2-benzofuran?
The InChIKey is WAGIYFLDSNLPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-11-9-7-5-3-4-6-8(7)10(12-2)13-9/h3-6,9-10H,1-2H3.
What are the key properties of 1,3-dimethoxy-1,3-dihydro-2-benzofuran?
1,3-dimethoxy-1,3-dihydro-2-benzofuran has a molecular weight of 180.20 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 11629690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).