2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;methane;2-methyl-6-(2-methylpropyl)-1-benzofuran;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 — IUPAC name, SMILES, InChIKey & properties

Name: 2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;methane;2-methyl-6-(2-methylpropyl)-1-benzofuran;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 Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;methane;2-methyl-6-(2-methylpropyl)-1-benzofuran;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-5-(2-methylpropyl)-3H-1-benzofuran;methane;2-methyl-6-(2-methylpropyl)-1-benzofuran;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 158227314) has the molecular formula C130H194N6O8S2 and a molecular weight of 2033.15 g/mol. Its IUPAC name is 2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;methane;2-methyl-6-(2-methylpropyl)-1-benzofuran;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-5-(2-methylpropyl)-3H-1-benzofuran;methane;2-methyl-6-(2-methylpropyl)-1-benzofuran;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	158227314
Molecular Formula	C130H194N6O8S2
Molecular Weight	2033.15 g/mol
Exact Mass	2031.44
IUPAC Name	2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;methane;2-methyl-6-(2-methylpropyl)-1-benzofuran;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.CC(C)Cc1ccc2c(c1)CC(C)(C)O2.CC(C)Cc1ccc2c(c1)CCO2.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.Cc1cc2ccc(CC(C)C)cc2o1.Cc1cc2ccc(CC(C)C)cc2s1
InChI	InChI=1S/C14H20O.C13H16O.C13H16S.C12H16N2.C12H16O2.C12H16O.C11H14N2.C11H13NO.C11H13NS.C11H14O2.10CH4/c1-10(2)7-11-5-6-13-12(8-11)9-14(3,4)15-13;21-9(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;31-8(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;34-5,7-9H,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);23-4,6-8H,5H2,1-2H3;3-4,6,8H,5,7H2,1-2H3;10*1H4
InChIKey	GDYKJPVWFSYHHA-UHFFFAOYSA-N
XLogP	38.45
TPSA	153.94 Å²
H-Bond Donors	1
H-Bond Acceptors	15
Rotatable Bonds	20
Heavy Atoms	146
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2033.15
LogP ≤ 5	38.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Analyze 2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;methane;2-methyl-6-(2-methylpropyl)-1-benzofuran;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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;methane;2-methyl-6-(2-methylpropyl)-1-benzofuran;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-5-(2-methylpropyl)-3H-1-benzofuran;methane;2-methyl-6-(2-methylpropyl)-1-benzofuran;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 158227314) is 2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;methane;2-methyl-6-(2-methylpropyl)-1-benzofuran;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-5-(2-methylpropyl)-3H-1-benzofuran;methane;2-methyl-6-(2-methylpropyl)-1-benzofuran;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-5-(2-methylpropyl)-3H-1-benzofuran;methane;2-methyl-6-(2-methylpropyl)-1-benzofuran;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.CC(C)Cc1ccc2c(c1)CC(C)(C)O2.CC(C)Cc1ccc2c(c1)CCO2.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.Cc1cc2ccc(CC(C)C)cc2o1.Cc1cc2ccc(CC(C)C)cc2s1.

What is the InChIKey of 2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;methane;2-methyl-6-(2-methylpropyl)-1-benzofuran;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 GDYKJPVWFSYHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O.C13H16O.C13H16S.C12H16N2.C12H16O2.C12H16O.C11H14N2.C11H13NO.C11H13NS.C11H14O2.10CH4/c1-10(2)7-11-5-6-13-12(8-11)9-14(3,4)15-13;2*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;3*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;10*1H4.

What are the key properties of 2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;methane;2-methyl-6-(2-methylpropyl)-1-benzofuran;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?

Where does this data come from?

All data for 2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;methane;2-methyl-6-(2-methylpropyl)-1-benzofuran;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 158227314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).