2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;2,3-dimethyl-5-(2-methylpropyl)-1-benzofuran;methane;2-methyl-5-(2-methylpropyl)-1-benzofuran;2-methyl-6-(2-methylpropyl)-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzothiophene;2-methyl-6-(2-methylpropyl)-1-benzothiophene;1-methyl-6-(2-methylpropyl)indazole;5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-1,2-benzothiazole;6-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-1H-indazole

C188H280N6O12S3 — CID 157294888

About 2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;2,3-dimethyl-5-(2-methylpropyl)-1-benzofuran;methane;2-methyl-5-(2-methylpropyl)-1-benzofuran;2-methyl-6-(2-methylpropyl)-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzothiophene;2-methyl-6-(2-methylpropyl)-1-benzothiophene;1-methyl-6-(2-methylpropyl)indazole;5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-1,2-benzothiazole;6-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-1H-indazole

2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;2,3-dimethyl-5-(2-methylpropyl)-1-benzofuran;methane;2-methyl-5-(2-methylpropyl)-1-benzofuran;2-methyl-6-(2-methylpropyl)-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzothiophene;2-methyl-6-(2-methylpropyl)-1-benzothiophene;1-methyl-6-(2-methylpropyl)indazole;5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-1,2-benzothiazole;6-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-1H-indazole (PubChem CID 157294888) has the molecular formula C188H280N6O12S3 and a molecular weight of 2912.54 g/mol. Its IUPAC name is 2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;2,3-dimethyl-5-(2-methylpropyl)-1-benzofuran;methane;2-methyl-5-(2-methylpropyl)-1-benzofuran;2-methyl-6-(2-methylpropyl)-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzothiophene;2-methyl-6-(2-methylpropyl)-1-benzothiophene;1-methyl-6-(2-methylpropyl)indazole;5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-1,2-benzothiazole;6-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-1H-indazole.

Molecular Properties

• Compound Name: 2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;2,3-dimethyl-5-(2-methylpropyl)-1-benzofuran;methane;2-methyl-5-(2-methylpropyl)-1-benzofuran;2-methyl-6-(2-methylpropyl)-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzothiophene;2-methyl-6-(2-methylpropyl)-1-benzothiophene;1-methyl-6-(2-methylpropyl)indazole;5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-1,2-benzothiazole;6-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-1H-indazole
• PubChem CID: 157294888
• Molecular Formula: C188H280N6O12S3
• Molecular Weight: 2912.54 g/mol
• Exact Mass: 2910.06
• IUPAC Name: 2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;2,3-dimethyl-5-(2-methylpropyl)-1-benzofuran;methane;2-methyl-5-(2-methylpropyl)-1-benzofuran;2-methyl-6-(2-methylpropyl)-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzothiophene;2-methyl-6-(2-methylpropyl)-1-benzothiophene;1-methyl-6-(2-methylpropyl)indazole;5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-1,2-benzothiazole;6-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-1H-indazole
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)Cc1ccc2c(c1)CC(C)(C)O2.CC(C)Cc1ccc2c(c1)CCO2.CC(C)Cc1ccc2c(c1)OCC(C)(C)O2.CC(C)Cc1ccc2c(c1)OCCO2.CC(C)Cc1ccc2c(c1)OCO2.CC(C)Cc1ccc2cn[nH]c2c1.CC(C)Cc1ccc2cnn(C)c2c1.CC(C)Cc1ccc2cnoc2c1.CC(C)Cc1ccc2cnsc2c1.Cc1cc2cc(CC(C)C)ccc2o1.Cc1cc2cc(CC(C)C)ccc2s1.Cc1cc2ccc(CC(C)C)cc2o1.Cc1cc2ccc(CC(C)C)cc2s1.Cc1oc2ccc(CC(C)C)cc2c1C
• InChI: InChI=1S/C14H20O2.C14H20O.C14H18O.2C13H16O.2C13H16S.C12H16N2.C12H16O2.C12H16O.C11H14N2.C11H13NO.C11H13NS.C11H14O2.14CH4/c1-10(2)7-11-5-6-12-13(8-11)15-9-14(3,4)16-12;1-10(2)7-11-5-6-13-12(8-11)9-14(3,4)15-13;1-9(2)7-12-5-6-14-13(8-12)10(3)11(4)15-14;1-9(2)6-11-4-5-13-12(8-11)7-10(3)14-13;1-9(2)6-11-4-5-12-7-10(3)14-13(12)8-11;1-9(2)6-11-4-5-13-12(8-11)7-10(3)14-13;1-9(2)6-11-4-5-12-7-10(3)14-13(12)8-11;1-9(2)6-10-4-5-11-8-13-14(3)12(11)7-10;1-9(2)7-10-3-4-11-12(8-10)14-6-5-13-11;1-9(2)7-10-3-4-12-11(8-10)5-6-13-12;3*1-8(2)5-9-3-4-10-7-12-13-11(10)6-9;1-8(2)5-9-3-4-10-11(6-9)13-7-12-10;;;;;;;;;;;;;;/h5-6,8,10H,7,9H2,1-4H3;5-6,8,10H,7,9H2,1-4H3;5-6,8-9H,7H2,1-4H3;5*4-5,7-9H,6H2,1-3H3;3-4,8-9H,5-7H2,1-2H3;3-4,8-9H,5-7H2,1-2H3;3-4,6-8H,5H2,1-2H3,(H,12,13);2*3-4,6-8H,5H2,1-2H3;3-4,6,8H,5,7H2,1-2H3;14*1H4
• InChIKey: BBFUIAGWNCVLML-UHFFFAOYSA-N
• XLogP: 57.03
• TPSA: 198.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 28
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2912.54
LogP ≤ 5	57.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;2,3-dimethyl-5-(2-methylpropyl)-1-benzofuran;methane;2-methyl-5-(2-methylpropyl)-1-benzofuran;2-methyl-6-(2-methylpropyl)-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzothiophene;2-methyl-6-(2-methylpropyl)-1-benzothiophene;1-methyl-6-(2-methylpropyl)indazole;5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-1,2-benzothiazole;6-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-1H-indazole?

The IUPAC name of 2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;2,3-dimethyl-5-(2-methylpropyl)-1-benzofuran;methane;2-methyl-5-(2-methylpropyl)-1-benzofuran;2-methyl-6-(2-methylpropyl)-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzothiophene;2-methyl-6-(2-methylpropyl)-1-benzothiophene;1-methyl-6-(2-methylpropyl)indazole;5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-1,2-benzothiazole;6-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-1H-indazole (CID 157294888) is 2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;2,3-dimethyl-5-(2-methylpropyl)-1-benzofuran;methane;2-methyl-5-(2-methylpropyl)-1-benzofuran;2-methyl-6-(2-methylpropyl)-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzothiophene;2-methyl-6-(2-methylpropyl)-1-benzothiophene;1-methyl-6-(2-methylpropyl)indazole;5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-1,2-benzothiazole;6-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-1H-indazole.

What is the SMILES notation for 2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;2,3-dimethyl-5-(2-methylpropyl)-1-benzofuran;methane;2-methyl-5-(2-methylpropyl)-1-benzofuran;2-methyl-6-(2-methylpropyl)-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzothiophene;2-methyl-6-(2-methylpropyl)-1-benzothiophene;1-methyl-6-(2-methylpropyl)indazole;5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-1,2-benzothiazole;6-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-1H-indazole?

The canonical SMILES for 2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;2,3-dimethyl-5-(2-methylpropyl)-1-benzofuran;methane;2-methyl-5-(2-methylpropyl)-1-benzofuran;2-methyl-6-(2-methylpropyl)-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzothiophene;2-methyl-6-(2-methylpropyl)-1-benzothiophene;1-methyl-6-(2-methylpropyl)indazole;5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-1,2-benzothiazole;6-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-1H-indazole is C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)Cc1ccc2c(c1)CC(C)(C)O2.CC(C)Cc1ccc2c(c1)CCO2.CC(C)Cc1ccc2c(c1)OCC(C)(C)O2.CC(C)Cc1ccc2c(c1)OCCO2.CC(C)Cc1ccc2c(c1)OCO2.CC(C)Cc1ccc2cn[nH]c2c1.CC(C)Cc1ccc2cnn(C)c2c1.CC(C)Cc1ccc2cnoc2c1.CC(C)Cc1ccc2cnsc2c1.Cc1cc2cc(CC(C)C)ccc2o1.Cc1cc2cc(CC(C)C)ccc2s1.Cc1cc2ccc(CC(C)C)cc2o1.Cc1cc2ccc(CC(C)C)cc2s1.Cc1oc2ccc(CC(C)C)cc2c1C.

What is the InChIKey of 2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;2,3-dimethyl-5-(2-methylpropyl)-1-benzofuran;methane;2-methyl-5-(2-methylpropyl)-1-benzofuran;2-methyl-6-(2-methylpropyl)-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzothiophene;2-methyl-6-(2-methylpropyl)-1-benzothiophene;1-methyl-6-(2-methylpropyl)indazole;5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-1,2-benzothiazole;6-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-1H-indazole?

The InChIKey is BBFUIAGWNCVLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2.C14H20O.C14H18O.2C13H16O.2C13H16S.C12H16N2.C12H16O2.C12H16O.C11H14N2.C11H13NO.C11H13NS.C11H14O2.14CH4/c1-10(2)7-11-5-6-12-13(8-11)15-9-14(3,4)16-12;1-10(2)7-11-5-6-13-12(8-11)9-14(3,4)15-13;1-9(2)7-12-5-6-14-13(8-12)10(3)11(4)15-14;1-9(2)6-11-4-5-13-12(8-11)7-10(3)14-13;1-9(2)6-11-4-5-12-7-10(3)14-13(12)8-11;1-9(2)6-11-4-5-13-12(8-11)7-10(3)14-13;1-9(2)6-11-4-5-12-7-10(3)14-13(12)8-11;1-9(2)6-10-4-5-11-8-13-14(3)12(11)7-10;1-9(2)7-10-3-4-11-12(8-10)14-6-5-13-11;1-9(2)7-10-3-4-12-11(8-10)5-6-13-12;3*1-8(2)5-9-3-4-10-7-12-13-11(10)6-9;1-8(2)5-9-3-4-10-11(6-9)13-7-12-10;;;;;;;;;;;;;;/h5-6,8,10H,7,9H2,1-4H3;5-6,8,10H,7,9H2,1-4H3;5-6,8-9H,7H2,1-4H3;5*4-5,7-9H,6H2,1-3H3;3-4,8-9H,5-7H2,1-2H3;3-4,8-9H,5-7H2,1-2H3;3-4,6-8H,5H2,1-2H3,(H,12,13);2*3-4,6-8H,5H2,1-2H3;3-4,6,8H,5,7H2,1-2H3;14*1H4.

What are the key properties of 2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;2,3-dimethyl-5-(2-methylpropyl)-1-benzofuran;methane;2-methyl-5-(2-methylpropyl)-1-benzofuran;2-methyl-6-(2-methylpropyl)-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzothiophene;2-methyl-6-(2-methylpropyl)-1-benzothiophene;1-methyl-6-(2-methylpropyl)indazole;5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-1,2-benzothiazole;6-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-1H-indazole?

2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;2,3-dimethyl-5-(2-methylpropyl)-1-benzofuran;methane;2-methyl-5-(2-methylpropyl)-1-benzofuran;2-methyl-6-(2-methylpropyl)-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzothiophene;2-methyl-6-(2-methylpropyl)-1-benzothiophene;1-methyl-6-(2-methylpropyl)indazole;5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-1,2-benzothiazole;6-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-1H-indazole has a molecular weight of 2912.54 g/mol, XLogP of 57.03, 28 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;2,3-dimethyl-5-(2-methylpropyl)-1-benzofuran;methane;2-methyl-5-(2-methylpropyl)-1-benzofuran;2-methyl-6-(2-methylpropyl)-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzothiophene;2-methyl-6-(2-methylpropyl)-1-benzothiophene;1-methyl-6-(2-methylpropyl)indazole;5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-1,2-benzothiazole;6-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-1H-indazole is sourced from PubChem (CID 157294888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).