1,3-benzodioxole;1,3-benzodioxol-2-one;bis(3H-1-benzofuran-2-one);3H-2-benzofuran-1-one;4H-chromene;chromen-4-one;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-chromene;2,3-dihydrochromen-4-one;2,3-dihydro-1H-indole;1,3-dihydroindol-2-one;2,3-dihydro-1H-isoindole;2,3-dihydroisoindol-1-one;1,4-dihydroquinoline;3,4-dihydro-1H-quinolin-2-one;1H-quinolin-4-one;1,2,3,4-tetrahydroquinoline;1,2-xylene

C174H162N8O24 — CID 159897173

About 1,3-benzodioxole;1,3-benzodioxol-2-one;bis(3H-1-benzofuran-2-one);3H-2-benzofuran-1-one;4H-chromene;chromen-4-one;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-chromene;2,3-dihydrochromen-4-one;2,3-dihydro-1H-indole;1,3-dihydroindol-2-one;2,3-dihydro-1H-isoindole;2,3-dihydroisoindol-1-one;1,4-dihydroquinoline;3,4-dihydro-1H-quinolin-2-one;1H-quinolin-4-one;1,2,3,4-tetrahydroquinoline;1,2-xylene

1,3-benzodioxole;1,3-benzodioxol-2-one;bis(3H-1-benzofuran-2-one);3H-2-benzofuran-1-one;4H-chromene;chromen-4-one;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-chromene;2,3-dihydrochromen-4-one;2,3-dihydro-1H-indole;1,3-dihydroindol-2-one;2,3-dihydro-1H-isoindole;2,3-dihydroisoindol-1-one;1,4-dihydroquinoline;3,4-dihydro-1H-quinolin-2-one;1H-quinolin-4-one;1,2,3,4-tetrahydroquinoline;1,2-xylene (PubChem CID 159897173) has the molecular formula C174H162N8O24 and a molecular weight of 2749.24 g/mol. Its IUPAC name is 1,3-benzodioxole;1,3-benzodioxol-2-one;bis(3H-1-benzofuran-2-one);3H-2-benzofuran-1-one;4H-chromene;chromen-4-one;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-chromene;2,3-dihydrochromen-4-one;2,3-dihydro-1H-indole;1,3-dihydroindol-2-one;2,3-dihydro-1H-isoindole;2,3-dihydroisoindol-1-one;1,4-dihydroquinoline;3,4-dihydro-1H-quinolin-2-one;1H-quinolin-4-one;1,2,3,4-tetrahydroquinoline;1,2-xylene.

Molecular Properties

• Compound Name: 1,3-benzodioxole;1,3-benzodioxol-2-one;bis(3H-1-benzofuran-2-one);3H-2-benzofuran-1-one;4H-chromene;chromen-4-one;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-chromene;2,3-dihydrochromen-4-one;2,3-dihydro-1H-indole;1,3-dihydroindol-2-one;2,3-dihydro-1H-isoindole;2,3-dihydroisoindol-1-one;1,4-dihydroquinoline;3,4-dihydro-1H-quinolin-2-one;1H-quinolin-4-one;1,2,3,4-tetrahydroquinoline;1,2-xylene
• PubChem CID: 159897173
• Molecular Formula: C174H162N8O24
• Molecular Weight: 2749.24 g/mol
• Exact Mass: 2747.17
• IUPAC Name: 1,3-benzodioxole;1,3-benzodioxol-2-one;bis(3H-1-benzofuran-2-one);3H-2-benzofuran-1-one;4H-chromene;chromen-4-one;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-chromene;2,3-dihydrochromen-4-one;2,3-dihydro-1H-indole;1,3-dihydroindol-2-one;2,3-dihydro-1H-isoindole;2,3-dihydroisoindol-1-one;1,4-dihydroquinoline;3,4-dihydro-1H-quinolin-2-one;1H-quinolin-4-one;1,2,3,4-tetrahydroquinoline;1,2-xylene
• SMILES: C1=CNc2ccccc2C1.C1=COc2ccccc2C1.Cc1ccccc1C.O=C1CCOc2ccccc21.O=C1CCc2ccccc2N1.O=C1Cc2ccccc2N1.O=C1Cc2ccccc2O1.O=C1Cc2ccccc2O1.O=C1NCc2ccccc21.O=C1OCc2ccccc21.O=c1cc[nH]c2ccccc12.O=c1ccoc2ccccc12.O=c1oc2ccccc2o1.c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CNC2.c1ccc2c(c1)COC2.c1ccc2c(c1)OCO2
• InChI: InChI=1S/C9H7NO.C9H9NO.C9H11N.C9H9N.C9H8O2.C9H6O2.C9H10O.C9H8O.2C8H7NO.2C8H9N.3C8H6O2.3C8H8O.C8H10.C7H4O3.C7H6O2/c11-9-5-6-10-8-4-2-1-3-7(8)9;11-9-6-5-7-3-1-2-4-8(7)10-9;2*1-2-6-9-8(4-1)5-3-7-10-9;2*10-8-5-6-11-9-4-2-1-3-7(8)9;2*1-2-6-9-8(4-1)5-3-7-10-9;10-8-7-4-2-1-3-6(7)5-9-8;10-8-5-6-3-1-2-4-7(6)9-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;9-8-7-4-2-1-3-6(7)5-10-8;2*9-8-5-6-3-1-2-4-7(6)10-8;1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-8-7(3-1)5-6-9-8;1-7-5-3-4-6-8(7)2;8-7-9-5-3-1-2-4-6(5)10-7;1-2-4-7-6(3-1)8-5-9-7/h1-6H,(H,10,11);1-4H,5-6H2,(H,10,11);1-2,4,6,10H,3,5,7H2;1-4,6-7,10H,5H2;1-4H,5-6H2;1-6H;1-2,4,6H,3,5,7H2;1-4,6-7H,5H2;2*1-4H,5H2,(H,9,10);2*1-4,9H,5-6H2;3*1-4H,5H2;3*1-4H,5-6H2;3-6H,1-2H3;1-4H;1-4H,5H2
• InChIKey: NVMKWBSKDCIKCB-UHFFFAOYSA-N
• XLogP: 33.68
• TPSA: 411.65 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2749.24
LogP ≤ 5	33.68
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxole;1,3-benzodioxol-2-one;bis(3H-1-benzofuran-2-one);3H-2-benzofuran-1-one;4H-chromene;chromen-4-one;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-chromene;2,3-dihydrochromen-4-one;2,3-dihydro-1H-indole;1,3-dihydroindol-2-one;2,3-dihydro-1H-isoindole;2,3-dihydroisoindol-1-one;1,4-dihydroquinoline;3,4-dihydro-1H-quinolin-2-one;1H-quinolin-4-one;1,2,3,4-tetrahydroquinoline;1,2-xylene?

The IUPAC name of 1,3-benzodioxole;1,3-benzodioxol-2-one;bis(3H-1-benzofuran-2-one);3H-2-benzofuran-1-one;4H-chromene;chromen-4-one;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-chromene;2,3-dihydrochromen-4-one;2,3-dihydro-1H-indole;1,3-dihydroindol-2-one;2,3-dihydro-1H-isoindole;2,3-dihydroisoindol-1-one;1,4-dihydroquinoline;3,4-dihydro-1H-quinolin-2-one;1H-quinolin-4-one;1,2,3,4-tetrahydroquinoline;1,2-xylene (CID 159897173) is 1,3-benzodioxole;1,3-benzodioxol-2-one;bis(3H-1-benzofuran-2-one);3H-2-benzofuran-1-one;4H-chromene;chromen-4-one;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-chromene;2,3-dihydrochromen-4-one;2,3-dihydro-1H-indole;1,3-dihydroindol-2-one;2,3-dihydro-1H-isoindole;2,3-dihydroisoindol-1-one;1,4-dihydroquinoline;3,4-dihydro-1H-quinolin-2-one;1H-quinolin-4-one;1,2,3,4-tetrahydroquinoline;1,2-xylene.

What is the SMILES notation for 1,3-benzodioxole;1,3-benzodioxol-2-one;bis(3H-1-benzofuran-2-one);3H-2-benzofuran-1-one;4H-chromene;chromen-4-one;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-chromene;2,3-dihydrochromen-4-one;2,3-dihydro-1H-indole;1,3-dihydroindol-2-one;2,3-dihydro-1H-isoindole;2,3-dihydroisoindol-1-one;1,4-dihydroquinoline;3,4-dihydro-1H-quinolin-2-one;1H-quinolin-4-one;1,2,3,4-tetrahydroquinoline;1,2-xylene?

The canonical SMILES for 1,3-benzodioxole;1,3-benzodioxol-2-one;bis(3H-1-benzofuran-2-one);3H-2-benzofuran-1-one;4H-chromene;chromen-4-one;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-chromene;2,3-dihydrochromen-4-one;2,3-dihydro-1H-indole;1,3-dihydroindol-2-one;2,3-dihydro-1H-isoindole;2,3-dihydroisoindol-1-one;1,4-dihydroquinoline;3,4-dihydro-1H-quinolin-2-one;1H-quinolin-4-one;1,2,3,4-tetrahydroquinoline;1,2-xylene is C1=CNc2ccccc2C1.C1=COc2ccccc2C1.Cc1ccccc1C.O=C1CCOc2ccccc21.O=C1CCc2ccccc2N1.O=C1Cc2ccccc2N1.O=C1Cc2ccccc2O1.O=C1Cc2ccccc2O1.O=C1NCc2ccccc21.O=C1OCc2ccccc21.O=c1cc[nH]c2ccccc12.O=c1ccoc2ccccc12.O=c1oc2ccccc2o1.c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CNC2.c1ccc2c(c1)COC2.c1ccc2c(c1)OCO2.

What is the InChIKey of 1,3-benzodioxole;1,3-benzodioxol-2-one;bis(3H-1-benzofuran-2-one);3H-2-benzofuran-1-one;4H-chromene;chromen-4-one;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-chromene;2,3-dihydrochromen-4-one;2,3-dihydro-1H-indole;1,3-dihydroindol-2-one;2,3-dihydro-1H-isoindole;2,3-dihydroisoindol-1-one;1,4-dihydroquinoline;3,4-dihydro-1H-quinolin-2-one;1H-quinolin-4-one;1,2,3,4-tetrahydroquinoline;1,2-xylene?

The InChIKey is NVMKWBSKDCIKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO.C9H9NO.C9H11N.C9H9N.C9H8O2.C9H6O2.C9H10O.C9H8O.2C8H7NO.2C8H9N.3C8H6O2.3C8H8O.C8H10.C7H4O3.C7H6O2/c11-9-5-6-10-8-4-2-1-3-7(8)9;11-9-6-5-7-3-1-2-4-8(7)10-9;2*1-2-6-9-8(4-1)5-3-7-10-9;2*10-8-5-6-11-9-4-2-1-3-7(8)9;2*1-2-6-9-8(4-1)5-3-7-10-9;10-8-7-4-2-1-3-6(7)5-9-8;10-8-5-6-3-1-2-4-7(6)9-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;9-8-7-4-2-1-3-6(7)5-10-8;2*9-8-5-6-3-1-2-4-7(6)10-8;1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-8-7(3-1)5-6-9-8;1-7-5-3-4-6-8(7)2;8-7-9-5-3-1-2-4-6(5)10-7;1-2-4-7-6(3-1)8-5-9-7/h1-6H,(H,10,11);1-4H,5-6H2,(H,10,11);1-2,4,6,10H,3,5,7H2;1-4,6-7,10H,5H2;1-4H,5-6H2;1-6H;1-2,4,6H,3,5,7H2;1-4,6-7H,5H2;2*1-4H,5H2,(H,9,10);2*1-4,9H,5-6H2;3*1-4H,5H2;3*1-4H,5-6H2;3-6H,1-2H3;1-4H;1-4H,5H2.

What are the key properties of 1,3-benzodioxole;1,3-benzodioxol-2-one;bis(3H-1-benzofuran-2-one);3H-2-benzofuran-1-one;4H-chromene;chromen-4-one;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-chromene;2,3-dihydrochromen-4-one;2,3-dihydro-1H-indole;1,3-dihydroindol-2-one;2,3-dihydro-1H-isoindole;2,3-dihydroisoindol-1-one;1,4-dihydroquinoline;3,4-dihydro-1H-quinolin-2-one;1H-quinolin-4-one;1,2,3,4-tetrahydroquinoline;1,2-xylene?

1,3-benzodioxole;1,3-benzodioxol-2-one;bis(3H-1-benzofuran-2-one);3H-2-benzofuran-1-one;4H-chromene;chromen-4-one;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-chromene;2,3-dihydrochromen-4-one;2,3-dihydro-1H-indole;1,3-dihydroindol-2-one;2,3-dihydro-1H-isoindole;2,3-dihydroisoindol-1-one;1,4-dihydroquinoline;3,4-dihydro-1H-quinolin-2-one;1H-quinolin-4-one;1,2,3,4-tetrahydroquinoline;1,2-xylene has a molecular weight of 2749.24 g/mol, XLogP of 33.68, 0 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-benzodioxole;1,3-benzodioxol-2-one;bis(3H-1-benzofuran-2-one);3H-2-benzofuran-1-one;4H-chromene;chromen-4-one;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-chromene;2,3-dihydrochromen-4-one;2,3-dihydro-1H-indole;1,3-dihydroindol-2-one;2,3-dihydro-1H-isoindole;2,3-dihydroisoindol-1-one;1,4-dihydroquinoline;3,4-dihydro-1H-quinolin-2-one;1H-quinolin-4-one;1,2,3,4-tetrahydroquinoline;1,2-xylene is sourced from PubChem (CID 159897173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).