1-methoxy-3-propoxy-1,3-dihydro-2-benzofuran

C12H16O3 — CID 163445562

IUPAC1-methoxy-3-propoxy-1,3-dihydro-2-benzofuran
SMILESCCCOC1OC(OC)c2ccccc21
InChIInChI=1S/C12H16O3/c1-3-8-14-12-10-7-5-4-6-9(10)11(13-2)15-12/h4-7,11-12H,3,8H2,1-2H3
InChIKeyBCFIKQBUCZGWEO-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.79
Rot. Bonds4

About 1-methoxy-3-propoxy-1,3-dihydro-2-benzofuran

1-methoxy-3-propoxy-1,3-dihydro-2-benzofuran (PubChem CID 163445562) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-methoxy-3-propoxy-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name1-methoxy-3-propoxy-1,3-dihydro-2-benzofuran
PubChem CID163445562
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name1-methoxy-3-propoxy-1,3-dihydro-2-benzofuran
SMILESCCCOC1OC(OC)c2ccccc21
InChIInChI=1S/C12H16O3/c1-3-8-14-12-10-7-5-4-6-9(10)11(13-2)15-12/h4-7,11-12H,3,8H2,1-2H3
InChIKeyBCFIKQBUCZGWEO-UHFFFAOYSA-N
XLogP2.79
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-propoxy-1,3-dihydro-2-benzofuran?
The IUPAC name of 1-methoxy-3-propoxy-1,3-dihydro-2-benzofuran (CID 163445562) is 1-methoxy-3-propoxy-1,3-dihydro-2-benzofuran.
What is the SMILES notation for 1-methoxy-3-propoxy-1,3-dihydro-2-benzofuran?
The canonical SMILES for 1-methoxy-3-propoxy-1,3-dihydro-2-benzofuran is CCCOC1OC(OC)c2ccccc21.
What is the InChIKey of 1-methoxy-3-propoxy-1,3-dihydro-2-benzofuran?
The InChIKey is BCFIKQBUCZGWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-3-8-14-12-10-7-5-4-6-9(10)11(13-2)15-12/h4-7,11-12H,3,8H2,1-2H3.
What are the key properties of 1-methoxy-3-propoxy-1,3-dihydro-2-benzofuran?
1-methoxy-3-propoxy-1,3-dihydro-2-benzofuran has a molecular weight of 208.26 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-propoxy-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 163445562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).