1-(1,3-benzodioxol-5-yl)-3-(1,3-dihydroisoindol-2-yl)propan-1-one;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3-dihydroisoindol-2-yl)ethanone;2,3-dihydro-1,4-benzodioxin-6-yl(1,3-dihydroisoindol-2-yl)methanone;1-(2,3-dihydro-1-benzofuran-5-yl)-3-(1,3-dihydroisoindol-2-yl)propan-1-one;6-[3-(1,3-dihydroisoindol-2-yl)propanoyl]-2,3-dihydrochromen-4-one

C92H87N5O14 — CID 164955476

About 1-(1,3-benzodioxol-5-yl)-3-(1,3-dihydroisoindol-2-yl)propan-1-one;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3-dihydroisoindol-2-yl)ethanone;2,3-dihydro-1,4-benzodioxin-6-yl(1,3-dihydroisoindol-2-yl)methanone;1-(2,3-dihydro-1-benzofuran-5-yl)-3-(1,3-dihydroisoindol-2-yl)propan-1-one;6-[3-(1,3-dihydroisoindol-2-yl)propanoyl]-2,3-dihydrochromen-4-one

1-(1,3-benzodioxol-5-yl)-3-(1,3-dihydroisoindol-2-yl)propan-1-one;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3-dihydroisoindol-2-yl)ethanone;2,3-dihydro-1,4-benzodioxin-6-yl(1,3-dihydroisoindol-2-yl)methanone;1-(2,3-dihydro-1-benzofuran-5-yl)-3-(1,3-dihydroisoindol-2-yl)propan-1-one;6-[3-(1,3-dihydroisoindol-2-yl)propanoyl]-2,3-dihydrochromen-4-one (PubChem CID 164955476) has the molecular formula C92H87N5O14 and a molecular weight of 1486.73 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-3-(1,3-dihydroisoindol-2-yl)propan-1-one;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3-dihydroisoindol-2-yl)ethanone;2,3-dihydro-1,4-benzodioxin-6-yl(1,3-dihydroisoindol-2-yl)methanone;1-(2,3-dihydro-1-benzofuran-5-yl)-3-(1,3-dihydroisoindol-2-yl)propan-1-one;6-[3-(1,3-dihydroisoindol-2-yl)propanoyl]-2,3-dihydrochromen-4-one.

Molecular Properties

• Compound Name: 1-(1,3-benzodioxol-5-yl)-3-(1,3-dihydroisoindol-2-yl)propan-1-one;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3-dihydroisoindol-2-yl)ethanone;2,3-dihydro-1,4-benzodioxin-6-yl(1,3-dihydroisoindol-2-yl)methanone;1-(2,3-dihydro-1-benzofuran-5-yl)-3-(1,3-dihydroisoindol-2-yl)propan-1-one;6-[3-(1,3-dihydroisoindol-2-yl)propanoyl]-2,3-dihydrochromen-4-one
• PubChem CID: 164955476
• Molecular Formula: C92H87N5O14
• Molecular Weight: 1486.73 g/mol
• Exact Mass: 1485.62
• IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(1,3-dihydroisoindol-2-yl)propan-1-one;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3-dihydroisoindol-2-yl)ethanone;2,3-dihydro-1,4-benzodioxin-6-yl(1,3-dihydroisoindol-2-yl)methanone;1-(2,3-dihydro-1-benzofuran-5-yl)-3-(1,3-dihydroisoindol-2-yl)propan-1-one;6-[3-(1,3-dihydroisoindol-2-yl)propanoyl]-2,3-dihydrochromen-4-one
• SMILES: O=C(CCN1Cc2ccccc2C1)c1ccc2c(c1)C(=O)CCO2.O=C(CCN1Cc2ccccc2C1)c1ccc2c(c1)CCO2.O=C(CCN1Cc2ccccc2C1)c1ccc2c(c1)OCO2.O=C(CN1Cc2ccccc2C1)c1ccc2c(c1)OCCO2.O=C(c1ccc2c(c1)OCCO2)N1Cc2ccccc2C1
• InChI: InChI=1S/C20H19NO3.C19H19NO2.2C18H17NO3.C17H15NO3/c22-18(7-9-21-12-15-3-1-2-4-16(15)13-21)14-5-6-20-17(11-14)19(23)8-10-24-20;21-18(14-5-6-19-15(11-14)8-10-22-19)7-9-20-12-16-3-1-2-4-17(16)13-20;20-16(12-19-10-14-3-1-2-4-15(14)11-19)13-5-6-17-18(9-13)22-8-7-21-17;20-16(13-5-6-17-18(9-13)22-12-21-17)7-8-19-10-14-3-1-2-4-15(14)11-19;19-17(18-10-13-3-1-2-4-14(13)11-18)12-5-6-15-16(9-12)21-8-7-20-15/h1-6,11H,7-10,12-13H2;1-6,11H,7-10,12-13H2;2*1-6,9H,7-8,10-12H2;1-6,9H,7-8,10-11H2
• InChIKey: BCPAFAUQKBSNJD-UHFFFAOYSA-N
• XLogP: 14.72
• TPSA: 192.46 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1486.73
LogP ≤ 5	14.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-(1,3-dihydroisoindol-2-yl)propan-1-one;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3-dihydroisoindol-2-yl)ethanone;2,3-dihydro-1,4-benzodioxin-6-yl(1,3-dihydroisoindol-2-yl)methanone;1-(2,3-dihydro-1-benzofuran-5-yl)-3-(1,3-dihydroisoindol-2-yl)propan-1-one;6-[3-(1,3-dihydroisoindol-2-yl)propanoyl]-2,3-dihydrochromen-4-one?

The IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-(1,3-dihydroisoindol-2-yl)propan-1-one;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3-dihydroisoindol-2-yl)ethanone;2,3-dihydro-1,4-benzodioxin-6-yl(1,3-dihydroisoindol-2-yl)methanone;1-(2,3-dihydro-1-benzofuran-5-yl)-3-(1,3-dihydroisoindol-2-yl)propan-1-one;6-[3-(1,3-dihydroisoindol-2-yl)propanoyl]-2,3-dihydrochromen-4-one (CID 164955476) is 1-(1,3-benzodioxol-5-yl)-3-(1,3-dihydroisoindol-2-yl)propan-1-one;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3-dihydroisoindol-2-yl)ethanone;2,3-dihydro-1,4-benzodioxin-6-yl(1,3-dihydroisoindol-2-yl)methanone;1-(2,3-dihydro-1-benzofuran-5-yl)-3-(1,3-dihydroisoindol-2-yl)propan-1-one;6-[3-(1,3-dihydroisoindol-2-yl)propanoyl]-2,3-dihydrochromen-4-one.

What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-3-(1,3-dihydroisoindol-2-yl)propan-1-one;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3-dihydroisoindol-2-yl)ethanone;2,3-dihydro-1,4-benzodioxin-6-yl(1,3-dihydroisoindol-2-yl)methanone;1-(2,3-dihydro-1-benzofuran-5-yl)-3-(1,3-dihydroisoindol-2-yl)propan-1-one;6-[3-(1,3-dihydroisoindol-2-yl)propanoyl]-2,3-dihydrochromen-4-one?

The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-3-(1,3-dihydroisoindol-2-yl)propan-1-one;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3-dihydroisoindol-2-yl)ethanone;2,3-dihydro-1,4-benzodioxin-6-yl(1,3-dihydroisoindol-2-yl)methanone;1-(2,3-dihydro-1-benzofuran-5-yl)-3-(1,3-dihydroisoindol-2-yl)propan-1-one;6-[3-(1,3-dihydroisoindol-2-yl)propanoyl]-2,3-dihydrochromen-4-one is O=C(CCN1Cc2ccccc2C1)c1ccc2c(c1)C(=O)CCO2.O=C(CCN1Cc2ccccc2C1)c1ccc2c(c1)CCO2.O=C(CCN1Cc2ccccc2C1)c1ccc2c(c1)OCO2.O=C(CN1Cc2ccccc2C1)c1ccc2c(c1)OCCO2.O=C(c1ccc2c(c1)OCCO2)N1Cc2ccccc2C1.

What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-3-(1,3-dihydroisoindol-2-yl)propan-1-one;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3-dihydroisoindol-2-yl)ethanone;2,3-dihydro-1,4-benzodioxin-6-yl(1,3-dihydroisoindol-2-yl)methanone;1-(2,3-dihydro-1-benzofuran-5-yl)-3-(1,3-dihydroisoindol-2-yl)propan-1-one;6-[3-(1,3-dihydroisoindol-2-yl)propanoyl]-2,3-dihydrochromen-4-one?

The InChIKey is BCPAFAUQKBSNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3.C19H19NO2.2C18H17NO3.C17H15NO3/c22-18(7-9-21-12-15-3-1-2-4-16(15)13-21)14-5-6-20-17(11-14)19(23)8-10-24-20;21-18(14-5-6-19-15(11-14)8-10-22-19)7-9-20-12-16-3-1-2-4-17(16)13-20;20-16(12-19-10-14-3-1-2-4-15(14)11-19)13-5-6-17-18(9-13)22-8-7-21-17;20-16(13-5-6-17-18(9-13)22-12-21-17)7-8-19-10-14-3-1-2-4-15(14)11-19;19-17(18-10-13-3-1-2-4-14(13)11-18)12-5-6-15-16(9-12)21-8-7-20-15/h1-6,11H,7-10,12-13H2;1-6,11H,7-10,12-13H2;2*1-6,9H,7-8,10-12H2;1-6,9H,7-8,10-11H2.

What are the key properties of 1-(1,3-benzodioxol-5-yl)-3-(1,3-dihydroisoindol-2-yl)propan-1-one;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3-dihydroisoindol-2-yl)ethanone;2,3-dihydro-1,4-benzodioxin-6-yl(1,3-dihydroisoindol-2-yl)methanone;1-(2,3-dihydro-1-benzofuran-5-yl)-3-(1,3-dihydroisoindol-2-yl)propan-1-one;6-[3-(1,3-dihydroisoindol-2-yl)propanoyl]-2,3-dihydrochromen-4-one?

1-(1,3-benzodioxol-5-yl)-3-(1,3-dihydroisoindol-2-yl)propan-1-one;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3-dihydroisoindol-2-yl)ethanone;2,3-dihydro-1,4-benzodioxin-6-yl(1,3-dihydroisoindol-2-yl)methanone;1-(2,3-dihydro-1-benzofuran-5-yl)-3-(1,3-dihydroisoindol-2-yl)propan-1-one;6-[3-(1,3-dihydroisoindol-2-yl)propanoyl]-2,3-dihydrochromen-4-one has a molecular weight of 1486.73 g/mol, XLogP of 14.72, 16 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzodioxol-5-yl)-3-(1,3-dihydroisoindol-2-yl)propan-1-one;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3-dihydroisoindol-2-yl)ethanone;2,3-dihydro-1,4-benzodioxin-6-yl(1,3-dihydroisoindol-2-yl)methanone;1-(2,3-dihydro-1-benzofuran-5-yl)-3-(1,3-dihydroisoindol-2-yl)propan-1-one;6-[3-(1,3-dihydroisoindol-2-yl)propanoyl]-2,3-dihydrochromen-4-one is sourced from PubChem (CID 164955476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).