2,2-diphenoxy-1,3-benzodioxole

C19H14O4 — CID 71335520

IUPAC2,2-diphenoxy-1,3-benzodioxole
SMILESc1ccc(OC2(Oc3ccccc3)Oc3ccccc3O2)cc1
InChIInChI=1S/C19H14O4/c1-3-9-15(10-4-1)20-19(21-16-11-5-2-6-12-16)22-17-13-7-8-14-18(17)23-19/h1-14H
InChIKeyWUYMVAZEXUQSTJ-UHFFFAOYSA-N
MW306.32 g/mol
LogP4.23
Rot. Bonds4

About 2,2-diphenoxy-1,3-benzodioxole

2,2-diphenoxy-1,3-benzodioxole (PubChem CID 71335520) has the molecular formula C19H14O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2,2-diphenoxy-1,3-benzodioxole.

Molecular Properties

Compound Name2,2-diphenoxy-1,3-benzodioxole
PubChem CID71335520
Molecular FormulaC19H14O4
Molecular Weight306.32 g/mol
Exact Mass306.09
IUPAC Name2,2-diphenoxy-1,3-benzodioxole
SMILESc1ccc(OC2(Oc3ccccc3)Oc3ccccc3O2)cc1
InChIInChI=1S/C19H14O4/c1-3-9-15(10-4-1)20-19(21-16-11-5-2-6-12-16)22-17-13-7-8-14-18(17)23-19/h1-14H
InChIKeyWUYMVAZEXUQSTJ-UHFFFAOYSA-N
XLogP4.23
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-diphenoxy-1,3-benzodioxole?
The IUPAC name of 2,2-diphenoxy-1,3-benzodioxole (CID 71335520) is 2,2-diphenoxy-1,3-benzodioxole.
What is the SMILES notation for 2,2-diphenoxy-1,3-benzodioxole?
The canonical SMILES for 2,2-diphenoxy-1,3-benzodioxole is c1ccc(OC2(Oc3ccccc3)Oc3ccccc3O2)cc1.
What is the InChIKey of 2,2-diphenoxy-1,3-benzodioxole?
The InChIKey is WUYMVAZEXUQSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O4/c1-3-9-15(10-4-1)20-19(21-16-11-5-2-6-12-16)22-17-13-7-8-14-18(17)23-19/h1-14H.
What are the key properties of 2,2-diphenoxy-1,3-benzodioxole?
2,2-diphenoxy-1,3-benzodioxole has a molecular weight of 306.32 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenoxy-1,3-benzodioxole is sourced from PubChem (CID 71335520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).