5-phenyl-4-phenylmethoxy-1,3-benzodioxole

C20H16O3 — CID 70629497

IUPAC5-phenyl-4-phenylmethoxy-1,3-benzodioxole
SMILESc1ccc(COc2c(-c3ccccc3)ccc3c2OCO3)cc1
InChIInChI=1S/C20H16O3/c1-3-7-15(8-4-1)13-21-19-17(16-9-5-2-6-10-16)11-12-18-20(19)23-14-22-18/h1-12H,13-14H2
InChIKeyRWQXXUKXRYUDNS-UHFFFAOYSA-N
MW304.34 g/mol
LogP4.66
Rot. Bonds4

About 5-phenyl-4-phenylmethoxy-1,3-benzodioxole

5-phenyl-4-phenylmethoxy-1,3-benzodioxole (PubChem CID 70629497) has the molecular formula C20H16O3 and a molecular weight of 304.34 g/mol. Its IUPAC name is 5-phenyl-4-phenylmethoxy-1,3-benzodioxole.

Molecular Properties

Compound Name5-phenyl-4-phenylmethoxy-1,3-benzodioxole
PubChem CID70629497
Molecular FormulaC20H16O3
Molecular Weight304.34 g/mol
Exact Mass304.11
IUPAC Name5-phenyl-4-phenylmethoxy-1,3-benzodioxole
SMILESc1ccc(COc2c(-c3ccccc3)ccc3c2OCO3)cc1
InChIInChI=1S/C20H16O3/c1-3-7-15(8-4-1)13-21-19-17(16-9-5-2-6-10-16)11-12-18-20(19)23-14-22-18/h1-12H,13-14H2
InChIKeyRWQXXUKXRYUDNS-UHFFFAOYSA-N
XLogP4.66
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-phenyl-4-phenylmethoxy-1,3-benzodioxole 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-phenyl-4-phenylmethoxy-1,3-benzodioxole?
The IUPAC name of 5-phenyl-4-phenylmethoxy-1,3-benzodioxole (CID 70629497) is 5-phenyl-4-phenylmethoxy-1,3-benzodioxole.
What is the SMILES notation for 5-phenyl-4-phenylmethoxy-1,3-benzodioxole?
The canonical SMILES for 5-phenyl-4-phenylmethoxy-1,3-benzodioxole is c1ccc(COc2c(-c3ccccc3)ccc3c2OCO3)cc1.
What is the InChIKey of 5-phenyl-4-phenylmethoxy-1,3-benzodioxole?
The InChIKey is RWQXXUKXRYUDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O3/c1-3-7-15(8-4-1)13-21-19-17(16-9-5-2-6-10-16)11-12-18-20(19)23-14-22-18/h1-12H,13-14H2.
What are the key properties of 5-phenyl-4-phenylmethoxy-1,3-benzodioxole?
5-phenyl-4-phenylmethoxy-1,3-benzodioxole has a molecular weight of 304.34 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-phenylmethoxy-1,3-benzodioxole is sourced from PubChem (CID 70629497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).