4H-1,3-benzodioxine;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxathiole;1,3-benzoxazole;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydro-1,4-benzoxathiine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;bis(2,3-dihydroinden-1-one);(2,2-dimethylpropane);1H-indene;bis(3H-indole);2-methyl-1H-indene;quinoline;quinoxaline;tris(1,2,3,4-tetrahydronaphthalene)

C322H479N7O14S5 — CID 157292748

About 4H-1,3-benzodioxine;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxathiole;1,3-benzoxazole;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydro-1,4-benzoxathiine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;bis(2,3-dihydroinden-1-one);(2,2-dimethylpropane);1H-indene;bis(3H-indole);2-methyl-1H-indene;quinoline;quinoxaline;tris(1,2,3,4-tetrahydronaphthalene)

4H-1,3-benzodioxine;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxathiole;1,3-benzoxazole;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydro-1,4-benzoxathiine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;bis(2,3-dihydroinden-1-one);(2,2-dimethylpropane);1H-indene;bis(3H-indole);2-methyl-1H-indene;quinoline;quinoxaline;tris(1,2,3,4-tetrahydronaphthalene) (PubChem CID 157292748) has the molecular formula C322H479N7O14S5 and a molecular weight of 4832.74 g/mol. Its IUPAC name is 4H-1,3-benzodioxine;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxathiole;1,3-benzoxazole;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydro-1,4-benzoxathiine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;bis(2,3-dihydroinden-1-one);(2,2-dimethylpropane);1H-indene;bis(3H-indole);2-methyl-1H-indene;quinoline;quinoxaline;tris(1,2,3,4-tetrahydronaphthalene).

Molecular Properties

• Compound Name: 4H-1,3-benzodioxine;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxathiole;1,3-benzoxazole;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydro-1,4-benzoxathiine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;bis(2,3-dihydroinden-1-one);(2,2-dimethylpropane);1H-indene;bis(3H-indole);2-methyl-1H-indene;quinoline;quinoxaline;tris(1,2,3,4-tetrahydronaphthalene)
• PubChem CID: 157292748
• Molecular Formula: C322H479N7O14S5
• Molecular Weight: 4832.74 g/mol
• Exact Mass: 4828.56
• IUPAC Name: 4H-1,3-benzodioxine;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxathiole;1,3-benzoxazole;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydro-1,4-benzoxathiine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;bis(2,3-dihydroinden-1-one);(2,2-dimethylpropane);1H-indene;bis(3H-indole);2-methyl-1H-indene;quinoline;quinoxaline;tris(1,2,3,4-tetrahydronaphthalene)
• SMILES: C1=Cc2ccccc2C1.C1=Nc2ccccc2C1.C1=Nc2ccccc2C1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC1=Cc2ccccc2C1.O=C1CCc2ccccc21.O=C1CCc2ccccc21.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCS2.c1ccc2c(c1)COCO2.c1ccc2c(c1)OCCO2.c1ccc2c(c1)OCCS2.c1ccc2c(c1)OCO2.c1ccc2c(c1)OCS2.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1
• InChI: InChI=1S/C10H10.3C10H12.C9H7N.C9H10O.2C9H8O.C9H10.C9H8.C8H6N2.2C8H7N.2C8H8O2.C8H8OS.C8H8O.C8H6O.C8H8S.C8H6S.C7H5NO.C7H5NS.C7H6O2.C7H6OS.24C5H12/c1-8-6-9-4-2-3-5-10(9)7-8;3*1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-6-9-8(4-1)5-3-7-10-9;2*10-9-6-5-7-3-1-2-4-8(7)9;2*1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)9-5-6-10-8;2*1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-7(3-1)5-9-6-10-8;2*1-2-4-8-7(3-1)9-5-6-10-8;4*1-2-4-8-7(3-1)5-6-9-8;4*1-2-4-7-6(3-1)8-5-9-7;24*1-5(2,3)4/h2-6H,7H2,1H3;3*1-2,5-6H,3-4,7-8H2;1-7H;1-2,4,6H,3,5,7H2;2*1-4H,5-6H2;1-2,4-5H,3,6-7H2;1-6H,7H2;1-6H;2*1-4,6H,5H2;3*1-4H,5-6H2;1-4H,5-6H2;1-6H;1-4H,5-6H2;1-6H;2*1-5H;2*1-4H,5H2;24*1-4H3
• InChIKey: BAZKUGBENLSSAD-UHFFFAOYSA-N
• XLogP: 99.57
• TPSA: 241.89 Ų
• H-Bond Acceptors: 26
• Heavy Atoms: 348
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4832.74
LogP ≤ 5	99.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 4H-1,3-benzodioxine;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxathiole;1,3-benzoxazole;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydro-1,4-benzoxathiine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;bis(2,3-dihydroinden-1-one);(2,2-dimethylpropane);1H-indene;bis(3H-indole);2-methyl-1H-indene;quinoline;quinoxaline;tris(1,2,3,4-tetrahydronaphthalene)?

The IUPAC name of 4H-1,3-benzodioxine;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxathiole;1,3-benzoxazole;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydro-1,4-benzoxathiine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;bis(2,3-dihydroinden-1-one);(2,2-dimethylpropane);1H-indene;bis(3H-indole);2-methyl-1H-indene;quinoline;quinoxaline;tris(1,2,3,4-tetrahydronaphthalene) (CID 157292748) is 4H-1,3-benzodioxine;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxathiole;1,3-benzoxazole;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydro-1,4-benzoxathiine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;bis(2,3-dihydroinden-1-one);(2,2-dimethylpropane);1H-indene;bis(3H-indole);2-methyl-1H-indene;quinoline;quinoxaline;tris(1,2,3,4-tetrahydronaphthalene).

What is the SMILES notation for 4H-1,3-benzodioxine;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxathiole;1,3-benzoxazole;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydro-1,4-benzoxathiine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;bis(2,3-dihydroinden-1-one);(2,2-dimethylpropane);1H-indene;bis(3H-indole);2-methyl-1H-indene;quinoline;quinoxaline;tris(1,2,3,4-tetrahydronaphthalene)?

The canonical SMILES for 4H-1,3-benzodioxine;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxathiole;1,3-benzoxazole;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydro-1,4-benzoxathiine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;bis(2,3-dihydroinden-1-one);(2,2-dimethylpropane);1H-indene;bis(3H-indole);2-methyl-1H-indene;quinoline;quinoxaline;tris(1,2,3,4-tetrahydronaphthalene) is C1=Cc2ccccc2C1.C1=Nc2ccccc2C1.C1=Nc2ccccc2C1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC1=Cc2ccccc2C1.O=C1CCc2ccccc21.O=C1CCc2ccccc21.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCS2.c1ccc2c(c1)COCO2.c1ccc2c(c1)OCCO2.c1ccc2c(c1)OCCS2.c1ccc2c(c1)OCO2.c1ccc2c(c1)OCS2.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.

What is the InChIKey of 4H-1,3-benzodioxine;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxathiole;1,3-benzoxazole;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydro-1,4-benzoxathiine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;bis(2,3-dihydroinden-1-one);(2,2-dimethylpropane);1H-indene;bis(3H-indole);2-methyl-1H-indene;quinoline;quinoxaline;tris(1,2,3,4-tetrahydronaphthalene)?

The InChIKey is BAZKUGBENLSSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10.3C10H12.C9H7N.C9H10O.2C9H8O.C9H10.C9H8.C8H6N2.2C8H7N.2C8H8O2.C8H8OS.C8H8O.C8H6O.C8H8S.C8H6S.C7H5NO.C7H5NS.C7H6O2.C7H6OS.24C5H12/c1-8-6-9-4-2-3-5-10(9)7-8;3*1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-6-9-8(4-1)5-3-7-10-9;2*10-9-6-5-7-3-1-2-4-8(7)9;2*1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)9-5-6-10-8;2*1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-7(3-1)5-9-6-10-8;2*1-2-4-8-7(3-1)9-5-6-10-8;4*1-2-4-8-7(3-1)5-6-9-8;4*1-2-4-7-6(3-1)8-5-9-7;24*1-5(2,3)4/h2-6H,7H2,1H3;3*1-2,5-6H,3-4,7-8H2;1-7H;1-2,4,6H,3,5,7H2;2*1-4H,5-6H2;1-2,4-5H,3,6-7H2;1-6H,7H2;1-6H;2*1-4,6H,5H2;3*1-4H,5-6H2;1-4H,5-6H2;1-6H;1-4H,5-6H2;1-6H;2*1-5H;2*1-4H,5H2;24*1-4H3.

What are the key properties of 4H-1,3-benzodioxine;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxathiole;1,3-benzoxazole;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydro-1,4-benzoxathiine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;bis(2,3-dihydroinden-1-one);(2,2-dimethylpropane);1H-indene;bis(3H-indole);2-methyl-1H-indene;quinoline;quinoxaline;tris(1,2,3,4-tetrahydronaphthalene)?

4H-1,3-benzodioxine;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxathiole;1,3-benzoxazole;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydro-1,4-benzoxathiine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;bis(2,3-dihydroinden-1-one);(2,2-dimethylpropane);1H-indene;bis(3H-indole);2-methyl-1H-indene;quinoline;quinoxaline;tris(1,2,3,4-tetrahydronaphthalene) has a molecular weight of 4832.74 g/mol, XLogP of 99.57, 0 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4H-1,3-benzodioxine;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxathiole;1,3-benzoxazole;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydro-1,4-benzoxathiine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;bis(2,3-dihydroinden-1-one);(2,2-dimethylpropane);1H-indene;bis(3H-indole);2-methyl-1H-indene;quinoline;quinoxaline;tris(1,2,3,4-tetrahydronaphthalene) is sourced from PubChem (CID 157292748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).