5,8-dibenzyl-1,4-benzodioxine

C22H18O2 — CID 134868844

IUPAC5,8-dibenzyl-1,4-benzodioxine
SMILESC1=COc2c(Cc3ccccc3)ccc(Cc3ccccc3)c2O1
InChIInChI=1S/C22H18O2/c1-3-7-17(8-4-1)15-19-11-12-20(16-18-9-5-2-6-10-18)22-21(19)23-13-14-24-22/h1-14H,15-16H2
InChIKeyOQIHECGHGDTNAW-UHFFFAOYSA-N
MW314.38 g/mol
LogP5.11
Rot. Bonds4

About 5,8-dibenzyl-1,4-benzodioxine

5,8-dibenzyl-1,4-benzodioxine (PubChem CID 134868844) has the molecular formula C22H18O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is 5,8-dibenzyl-1,4-benzodioxine.

Molecular Properties

Compound Name5,8-dibenzyl-1,4-benzodioxine
PubChem CID134868844
Molecular FormulaC22H18O2
Molecular Weight314.38 g/mol
Exact Mass314.13
IUPAC Name5,8-dibenzyl-1,4-benzodioxine
SMILESC1=COc2c(Cc3ccccc3)ccc(Cc3ccccc3)c2O1
InChIInChI=1S/C22H18O2/c1-3-7-17(8-4-1)15-19-11-12-20(16-18-9-5-2-6-10-18)22-21(19)23-13-14-24-22/h1-14H,15-16H2
InChIKeyOQIHECGHGDTNAW-UHFFFAOYSA-N
XLogP5.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.38
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,8-dibenzyl-1,4-benzodioxine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,8-dibenzyl-1,4-benzodioxine?
The IUPAC name of 5,8-dibenzyl-1,4-benzodioxine (CID 134868844) is 5,8-dibenzyl-1,4-benzodioxine.
What is the SMILES notation for 5,8-dibenzyl-1,4-benzodioxine?
The canonical SMILES for 5,8-dibenzyl-1,4-benzodioxine is C1=COc2c(Cc3ccccc3)ccc(Cc3ccccc3)c2O1.
What is the InChIKey of 5,8-dibenzyl-1,4-benzodioxine?
The InChIKey is OQIHECGHGDTNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O2/c1-3-7-17(8-4-1)15-19-11-12-20(16-18-9-5-2-6-10-18)22-21(19)23-13-14-24-22/h1-14H,15-16H2.
What are the key properties of 5,8-dibenzyl-1,4-benzodioxine?
5,8-dibenzyl-1,4-benzodioxine has a molecular weight of 314.38 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dibenzyl-1,4-benzodioxine is sourced from PubChem (CID 134868844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).