8-methoxy-7-(4-methoxyphenyl)-7H-furo[2,3-f][1,3]benzodioxol-6-one

C17H14O6 — CID 10591326

IUPAC8-methoxy-7-(4-methoxyphenyl)-7H-furo[2,3-f][1,3]benzodioxol-6-one
SMILESCOc1ccc(C2C(=O)Oc3cc4c(c(OC)c32)OCO4)cc1
InChIInChI=1S/C17H14O6/c1-19-10-5-3-9(4-6-10)13-14-11(23-17(13)18)7-12-15(16(14)20-2)22-8-21-12/h3-7,13H,8H2,1-2H3
InChIKeyNLCAMZUTWGFUSW-UHFFFAOYSA-N
MW314.29 g/mol
LogP2.48
Rot. Bonds3

About 8-methoxy-7-(4-methoxyphenyl)-7H-furo[2,3-f][1,3]benzodioxol-6-one

8-methoxy-7-(4-methoxyphenyl)-7H-furo[2,3-f][1,3]benzodioxol-6-one (PubChem CID 10591326) has the molecular formula C17H14O6 and a molecular weight of 314.29 g/mol. Its IUPAC name is 8-methoxy-7-(4-methoxyphenyl)-7H-furo[2,3-f][1,3]benzodioxol-6-one.

Molecular Properties

Compound Name8-methoxy-7-(4-methoxyphenyl)-7H-furo[2,3-f][1,3]benzodioxol-6-one
PubChem CID10591326
Molecular FormulaC17H14O6
Molecular Weight314.29 g/mol
Exact Mass314.08
IUPAC Name8-methoxy-7-(4-methoxyphenyl)-7H-furo[2,3-f][1,3]benzodioxol-6-one
SMILESCOc1ccc(C2C(=O)Oc3cc4c(c(OC)c32)OCO4)cc1
InChIInChI=1S/C17H14O6/c1-19-10-5-3-9(4-6-10)13-14-11(23-17(13)18)7-12-15(16(14)20-2)22-8-21-12/h3-7,13H,8H2,1-2H3
InChIKeyNLCAMZUTWGFUSW-UHFFFAOYSA-N
XLogP2.48
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-7-(4-methoxyphenyl)-7H-furo[2,3-f][1,3]benzodioxol-6-one?
The IUPAC name of 8-methoxy-7-(4-methoxyphenyl)-7H-furo[2,3-f][1,3]benzodioxol-6-one (CID 10591326) is 8-methoxy-7-(4-methoxyphenyl)-7H-furo[2,3-f][1,3]benzodioxol-6-one.
What is the SMILES notation for 8-methoxy-7-(4-methoxyphenyl)-7H-furo[2,3-f][1,3]benzodioxol-6-one?
The canonical SMILES for 8-methoxy-7-(4-methoxyphenyl)-7H-furo[2,3-f][1,3]benzodioxol-6-one is COc1ccc(C2C(=O)Oc3cc4c(c(OC)c32)OCO4)cc1.
What is the InChIKey of 8-methoxy-7-(4-methoxyphenyl)-7H-furo[2,3-f][1,3]benzodioxol-6-one?
The InChIKey is NLCAMZUTWGFUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O6/c1-19-10-5-3-9(4-6-10)13-14-11(23-17(13)18)7-12-15(16(14)20-2)22-8-21-12/h3-7,13H,8H2,1-2H3.
What are the key properties of 8-methoxy-7-(4-methoxyphenyl)-7H-furo[2,3-f][1,3]benzodioxol-6-one?
8-methoxy-7-(4-methoxyphenyl)-7H-furo[2,3-f][1,3]benzodioxol-6-one has a molecular weight of 314.29 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-7-(4-methoxyphenyl)-7H-furo[2,3-f][1,3]benzodioxol-6-one is sourced from PubChem (CID 10591326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).