7-methyl-4,5-diphenyl-1,3-benzodioxole

C20H16O2 — CID 57112603

IUPAC7-methyl-4,5-diphenyl-1,3-benzodioxole
SMILESCc1cc(-c2ccccc2)c(-c2ccccc2)c2c1OCO2
InChIInChI=1S/C20H16O2/c1-14-12-17(15-8-4-2-5-9-15)18(16-10-6-3-7-11-16)20-19(14)21-13-22-20/h2-12H,13H2,1H3
InChIKeyIGAOIYNKLOJDSS-UHFFFAOYSA-N
MW288.35 g/mol
LogP5.06
Rot. Bonds2

About 7-methyl-4,5-diphenyl-1,3-benzodioxole

7-methyl-4,5-diphenyl-1,3-benzodioxole (PubChem CID 57112603) has the molecular formula C20H16O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 7-methyl-4,5-diphenyl-1,3-benzodioxole.

Molecular Properties

Compound Name7-methyl-4,5-diphenyl-1,3-benzodioxole
PubChem CID57112603
Molecular FormulaC20H16O2
Molecular Weight288.35 g/mol
Exact Mass288.12
IUPAC Name7-methyl-4,5-diphenyl-1,3-benzodioxole
SMILESCc1cc(-c2ccccc2)c(-c2ccccc2)c2c1OCO2
InChIInChI=1S/C20H16O2/c1-14-12-17(15-8-4-2-5-9-15)18(16-10-6-3-7-11-16)20-19(14)21-13-22-20/h2-12H,13H2,1H3
InChIKeyIGAOIYNKLOJDSS-UHFFFAOYSA-N
XLogP5.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.35
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4,5-diphenyl-1,3-benzodioxole?
The IUPAC name of 7-methyl-4,5-diphenyl-1,3-benzodioxole (CID 57112603) is 7-methyl-4,5-diphenyl-1,3-benzodioxole.
What is the SMILES notation for 7-methyl-4,5-diphenyl-1,3-benzodioxole?
The canonical SMILES for 7-methyl-4,5-diphenyl-1,3-benzodioxole is Cc1cc(-c2ccccc2)c(-c2ccccc2)c2c1OCO2.
What is the InChIKey of 7-methyl-4,5-diphenyl-1,3-benzodioxole?
The InChIKey is IGAOIYNKLOJDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O2/c1-14-12-17(15-8-4-2-5-9-15)18(16-10-6-3-7-11-16)20-19(14)21-13-22-20/h2-12H,13H2,1H3.
What are the key properties of 7-methyl-4,5-diphenyl-1,3-benzodioxole?
7-methyl-4,5-diphenyl-1,3-benzodioxole has a molecular weight of 288.35 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4,5-diphenyl-1,3-benzodioxole is sourced from PubChem (CID 57112603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).