10-(2-methylphenyl)-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one

C20H15NO3 — CID 19353316

IUPAC10-(2-methylphenyl)-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one
SMILESCc1ccccc1-c1c2c(cc3ccc4c(c13)OCO4)C(=O)NC2
InChIInChI=1S/C20H15NO3/c1-11-4-2-3-5-13(11)18-15-9-21-20(22)14(15)8-12-6-7-16-19(17(12)18)24-10-23-16/h2-8H,9-10H2,1H3,(H,21,22)
InChIKeyKICBHASGIXLGEO-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.79
Rot. Bonds1

About 10-(2-methylphenyl)-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one

10-(2-methylphenyl)-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one (PubChem CID 19353316) has the molecular formula C20H15NO3 and a molecular weight of 317.34 g/mol. Its IUPAC name is 10-(2-methylphenyl)-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one.

Molecular Properties

Compound Name10-(2-methylphenyl)-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one
PubChem CID19353316
Molecular FormulaC20H15NO3
Molecular Weight317.34 g/mol
Exact Mass317.11
IUPAC Name10-(2-methylphenyl)-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one
SMILESCc1ccccc1-c1c2c(cc3ccc4c(c13)OCO4)C(=O)NC2
InChIInChI=1S/C20H15NO3/c1-11-4-2-3-5-13(11)18-15-9-21-20(22)14(15)8-12-6-7-16-19(17(12)18)24-10-23-16/h2-8H,9-10H2,1H3,(H,21,22)
InChIKeyKICBHASGIXLGEO-UHFFFAOYSA-N
XLogP3.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-(2-methylphenyl)-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one?
The IUPAC name of 10-(2-methylphenyl)-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one (CID 19353316) is 10-(2-methylphenyl)-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one.
What is the SMILES notation for 10-(2-methylphenyl)-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one?
The canonical SMILES for 10-(2-methylphenyl)-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one is Cc1ccccc1-c1c2c(cc3ccc4c(c13)OCO4)C(=O)NC2.
What is the InChIKey of 10-(2-methylphenyl)-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one?
The InChIKey is KICBHASGIXLGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO3/c1-11-4-2-3-5-13(11)18-15-9-21-20(22)14(15)8-12-6-7-16-19(17(12)18)24-10-23-16/h2-8H,9-10H2,1H3,(H,21,22).
What are the key properties of 10-(2-methylphenyl)-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one?
10-(2-methylphenyl)-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one has a molecular weight of 317.34 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-methylphenyl)-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one is sourced from PubChem (CID 19353316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).