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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Related Compounds

(3R)-1-ethoxy-3-propan-2-yl-1,3-dihydro-2-benzofuran
CID 101412626
3-butyl-1-methoxy-1H-isochromene
CID 15544138
(1R,3R)-1-methoxy-3-(phenylmethoxymethyl)-1,3-dihydro-2-benzofuran
CID 11471215
3,5-dimethoxy-6-methyl-4-propoxyoxan-2-ol
CID 76621622
4-methyl-2-propoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115420176
(4S)-1-methoxy-3,4-dihydro-1H-isochromen-4-ol
CID 102351803
2-propoxy-2H-benzimidazole
CID 173342740
(3S)-6,7-dimethoxy-3-propoxy-3H-2-benzofuran-1-one
CID 2057012
3-[(3-methoxy-1,3-dihydro-2-benzofuran-1-yl)oxy]-1-methyl-4-nitro-1,3-dihydro-2-benzofuran
CID 20829622
2-propoxy-2,3-dihydro-1H-indene
CID 12009073
N-[1-[(1S,3R)-3-methoxy-1,3-dihydro-2-benzofuran-1-yl]cyclopentyl]hydroxylamine
CID 10514759
3-hydroperoxy-4-pentan-3-yl-1-(2,2,2-trifluoroethoxy)-3,4-dihydro-1H-isochromene
CID 11724424

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).