5-methoxy-6-prop-2-enoxy-2,3-dihydro-1,4-benzodioxine

C12H14O4 — CID 121015180

IUPAC5-methoxy-6-prop-2-enoxy-2,3-dihydro-1,4-benzodioxine
SMILESC=CCOc1ccc2c(c1OC)OCCO2
InChIInChI=1S/C12H14O4/c1-3-6-14-9-4-5-10-12(11(9)13-2)16-8-7-15-10/h3-5H,1,6-8H2,2H3
InChIKeyVKCQHEBTLZTDPP-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.03
Rot. Bonds4

About 5-methoxy-6-prop-2-enoxy-2,3-dihydro-1,4-benzodioxine

5-methoxy-6-prop-2-enoxy-2,3-dihydro-1,4-benzodioxine (PubChem CID 121015180) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 5-methoxy-6-prop-2-enoxy-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name5-methoxy-6-prop-2-enoxy-2,3-dihydro-1,4-benzodioxine
PubChem CID121015180
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name5-methoxy-6-prop-2-enoxy-2,3-dihydro-1,4-benzodioxine
SMILESC=CCOc1ccc2c(c1OC)OCCO2
InChIInChI=1S/C12H14O4/c1-3-6-14-9-4-5-10-12(11(9)13-2)16-8-7-15-10/h3-5H,1,6-8H2,2H3
InChIKeyVKCQHEBTLZTDPP-UHFFFAOYSA-N
XLogP2.03
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-prop-2-enoxy-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 5-methoxy-6-prop-2-enoxy-2,3-dihydro-1,4-benzodioxine (CID 121015180) is 5-methoxy-6-prop-2-enoxy-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 5-methoxy-6-prop-2-enoxy-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 5-methoxy-6-prop-2-enoxy-2,3-dihydro-1,4-benzodioxine is C=CCOc1ccc2c(c1OC)OCCO2.
What is the InChIKey of 5-methoxy-6-prop-2-enoxy-2,3-dihydro-1,4-benzodioxine?
The InChIKey is VKCQHEBTLZTDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-3-6-14-9-4-5-10-12(11(9)13-2)16-8-7-15-10/h3-5H,1,6-8H2,2H3.
What are the key properties of 5-methoxy-6-prop-2-enoxy-2,3-dihydro-1,4-benzodioxine?
5-methoxy-6-prop-2-enoxy-2,3-dihydro-1,4-benzodioxine has a molecular weight of 222.24 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-prop-2-enoxy-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 121015180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).