1,2-dimethyl-4-(2-methylpropyl)benzene;5-(2,2-dimethylpropyl)benzene-1,3-diol;4-(2,2-dimethylpropyl)-1-hydroxypyridin-1-ium;1-(2,2-dimethylpropyl)-3-methoxy-5-methylbenzene;4-(2,2-dimethylpropyl)-3-methoxyphenol;2-(2,2-dimethylpropyl)-5-methylphenol;4-(2,2-dimethylpropyl)-2-methylphenol;2-(2,2-dimethylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;3-methylbutylbenzene;bis(2-methyl-1-(4-methylphenyl)propan-1-one);3-methyl-5-(2-methylpropyl)phenol;5-methyl-2-(2-methylpropyl)phenol;2-methyl-4-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyridine;4-(2-methylpropyl)benzene-1,2-diol;5-(2-methylpropyl)-1H-indole;sulfur dioxide

C198H286FN6O16S+ — CID 159909927

About 1,2-dimethyl-4-(2-methylpropyl)benzene;5-(2,2-dimethylpropyl)benzene-1,3-diol;4-(2,2-dimethylpropyl)-1-hydroxypyridin-1-ium;1-(2,2-dimethylpropyl)-3-methoxy-5-methylbenzene;4-(2,2-dimethylpropyl)-3-methoxyphenol;2-(2,2-dimethylpropyl)-5-methylphenol;4-(2,2-dimethylpropyl)-2-methylphenol;2-(2,2-dimethylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;3-methylbutylbenzene;bis(2-methyl-1-(4-methylphenyl)propan-1-one);3-methyl-5-(2-methylpropyl)phenol;5-methyl-2-(2-methylpropyl)phenol;2-methyl-4-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyridine;4-(2-methylpropyl)benzene-1,2-diol;5-(2-methylpropyl)-1H-indole;sulfur dioxide

1,2-dimethyl-4-(2-methylpropyl)benzene;5-(2,2-dimethylpropyl)benzene-1,3-diol;4-(2,2-dimethylpropyl)-1-hydroxypyridin-1-ium;1-(2,2-dimethylpropyl)-3-methoxy-5-methylbenzene;4-(2,2-dimethylpropyl)-3-methoxyphenol;2-(2,2-dimethylpropyl)-5-methylphenol;4-(2,2-dimethylpropyl)-2-methylphenol;2-(2,2-dimethylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;3-methylbutylbenzene;bis(2-methyl-1-(4-methylphenyl)propan-1-one);3-methyl-5-(2-methylpropyl)phenol;5-methyl-2-(2-methylpropyl)phenol;2-methyl-4-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyridine;4-(2-methylpropyl)benzene-1,2-diol;5-(2-methylpropyl)-1H-indole;sulfur dioxide (PubChem CID 159909927) has the molecular formula C198H286FN6O16S+ and a molecular weight of 3057.56 g/mol. Its IUPAC name is 1,2-dimethyl-4-(2-methylpropyl)benzene;5-(2,2-dimethylpropyl)benzene-1,3-diol;4-(2,2-dimethylpropyl)-1-hydroxypyridin-1-ium;1-(2,2-dimethylpropyl)-3-methoxy-5-methylbenzene;4-(2,2-dimethylpropyl)-3-methoxyphenol;2-(2,2-dimethylpropyl)-5-methylphenol;4-(2,2-dimethylpropyl)-2-methylphenol;2-(2,2-dimethylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;3-methylbutylbenzene;bis(2-methyl-1-(4-methylphenyl)propan-1-one);3-methyl-5-(2-methylpropyl)phenol;5-methyl-2-(2-methylpropyl)phenol;2-methyl-4-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyridine;4-(2-methylpropyl)benzene-1,2-diol;5-(2-methylpropyl)-1H-indole;sulfur dioxide.

Molecular Properties

• Compound Name: 1,2-dimethyl-4-(2-methylpropyl)benzene;5-(2,2-dimethylpropyl)benzene-1,3-diol;4-(2,2-dimethylpropyl)-1-hydroxypyridin-1-ium;1-(2,2-dimethylpropyl)-3-methoxy-5-methylbenzene;4-(2,2-dimethylpropyl)-3-methoxyphenol;2-(2,2-dimethylpropyl)-5-methylphenol;4-(2,2-dimethylpropyl)-2-methylphenol;2-(2,2-dimethylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;3-methylbutylbenzene;bis(2-methyl-1-(4-methylphenyl)propan-1-one);3-methyl-5-(2-methylpropyl)phenol;5-methyl-2-(2-methylpropyl)phenol;2-methyl-4-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyridine;4-(2-methylpropyl)benzene-1,2-diol;5-(2-methylpropyl)-1H-indole;sulfur dioxide
• PubChem CID: 159909927
• Molecular Formula: C198H286FN6O16S+
• Molecular Weight: 3057.56 g/mol
• Exact Mass: 3055.14
• IUPAC Name: 1,2-dimethyl-4-(2-methylpropyl)benzene;5-(2,2-dimethylpropyl)benzene-1,3-diol;4-(2,2-dimethylpropyl)-1-hydroxypyridin-1-ium;1-(2,2-dimethylpropyl)-3-methoxy-5-methylbenzene;4-(2,2-dimethylpropyl)-3-methoxyphenol;2-(2,2-dimethylpropyl)-5-methylphenol;4-(2,2-dimethylpropyl)-2-methylphenol;2-(2,2-dimethylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;3-methylbutylbenzene;bis(2-methyl-1-(4-methylphenyl)propan-1-one);3-methyl-5-(2-methylpropyl)phenol;5-methyl-2-(2-methylpropyl)phenol;2-methyl-4-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyridine;4-(2-methylpropyl)benzene-1,2-diol;5-(2-methylpropyl)-1H-indole;sulfur dioxide
• SMILES: CC(C)(C)Cc1cc(O)cc(O)c1.CC(C)(C)Cc1cc[n+](O)cc1.CC(C)(C)Cc1ccccn1.CC(C)CCc1ccccc1.CC(C)Cc1ccc(F)cn1.CC(C)Cc1ccc(O)c(O)c1.CC(C)Cc1ccc2[nH]ccc2c1.COc1cc(C)cc(CC(C)(C)C)c1.COc1cc(O)ccc1CC(C)(C)C.Cc1cc(CC(C)(C)C)ccc1O.Cc1cc(CC(C)C)ccn1.Cc1cc(O)cc(CC(C)C)c1.Cc1ccc(C(=O)C(C)C)cc1.Cc1ccc(C(=O)C(C)C)cc1.Cc1ccc(CC(C)(C)C)c(O)c1.Cc1ccc(CC(C)C)c(O)c1.Cc1ccc(CC(C)C)cc1C.Cc1ccc(CC(C)C)cn1.O=S=O
• InChI: InChI=1S/C13H20O.C12H15N.C12H18O2.2C12H18O.C12H18.C11H16O2.C11H16O.2C11H14O.C11H16O.C11H16.C10H16NO.3C10H15N.C10H14O2.C9H12FN.O2S/c1-10-6-11(9-13(2,3)4)8-12(7-10)14-5;1-9(2)7-10-3-4-12-11(8-10)5-6-13-12;1-12(2,3)8-9-5-6-10(13)7-11(9)14-4;1-9-7-10(5-6-11(9)13)8-12(2,3)4;1-9-5-6-10(11(13)7-9)8-12(2,3)4;1-9(2)7-12-6-5-10(3)11(4)8-12;1-11(2,3)7-8-4-9(12)6-10(13)5-8;1-8(2)4-10-5-9(3)6-11(12)7-10;2*1-8(2)11(12)10-6-4-9(3)5-7-10;1-8(2)6-10-5-4-9(3)7-11(10)12;1-10(2)8-9-11-6-4-3-5-7-11;1-10(2,3)8-9-4-6-11(12)7-5-9;1-8(2)6-10-4-5-11-9(3)7-10;1-8(2)6-10-5-4-9(3)11-7-10;1-10(2,3)8-9-6-4-5-7-11-9;1-7(2)5-8-3-4-9(11)10(12)6-8;1-7(2)5-9-4-3-8(10)6-11-9;1-3-2/h6-8H,9H2,1-5H3;3-6,8-9,13H,7H2,1-2H3;5-7,13H,8H2,1-4H3;2*5-7,13H,8H2,1-4H3;5-6,8-9H,7H2,1-4H3;4-6,12-13H,7H2,1-3H3;5-8,12H,4H2,1-3H3;2*4-8H,1-3H3;4-5,7-8,12H,6H2,1-3H3;3-7,10H,8-9H2,1-2H3;4-7,12H,8H2,1-3H3;2*4-5,7-8H,6H2,1-3H3;4-7H,8H2,1-3H3;3-4,6-7,11-12H,5H2,1-2H3;3-4,6-7H,5H2,1-2H3;/q;;;;;;;;;;;;+1
• InChIKey: NXBFJBALJLMIGX-UHFFFAOYSA-N
• XLogP: 51.15
• TPSA: 360.27 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 20
• Rotatable Bonds: 32
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3057.56
LogP ≤ 5	51.15
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-(2-methylpropyl)benzene;5-(2,2-dimethylpropyl)benzene-1,3-diol;4-(2,2-dimethylpropyl)-1-hydroxypyridin-1-ium;1-(2,2-dimethylpropyl)-3-methoxy-5-methylbenzene;4-(2,2-dimethylpropyl)-3-methoxyphenol;2-(2,2-dimethylpropyl)-5-methylphenol;4-(2,2-dimethylpropyl)-2-methylphenol;2-(2,2-dimethylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;3-methylbutylbenzene;bis(2-methyl-1-(4-methylphenyl)propan-1-one);3-methyl-5-(2-methylpropyl)phenol;5-methyl-2-(2-methylpropyl)phenol;2-methyl-4-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyridine;4-(2-methylpropyl)benzene-1,2-diol;5-(2-methylpropyl)-1H-indole;sulfur dioxide?

The IUPAC name of 1,2-dimethyl-4-(2-methylpropyl)benzene;5-(2,2-dimethylpropyl)benzene-1,3-diol;4-(2,2-dimethylpropyl)-1-hydroxypyridin-1-ium;1-(2,2-dimethylpropyl)-3-methoxy-5-methylbenzene;4-(2,2-dimethylpropyl)-3-methoxyphenol;2-(2,2-dimethylpropyl)-5-methylphenol;4-(2,2-dimethylpropyl)-2-methylphenol;2-(2,2-dimethylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;3-methylbutylbenzene;bis(2-methyl-1-(4-methylphenyl)propan-1-one);3-methyl-5-(2-methylpropyl)phenol;5-methyl-2-(2-methylpropyl)phenol;2-methyl-4-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyridine;4-(2-methylpropyl)benzene-1,2-diol;5-(2-methylpropyl)-1H-indole;sulfur dioxide (CID 159909927) is 1,2-dimethyl-4-(2-methylpropyl)benzene;5-(2,2-dimethylpropyl)benzene-1,3-diol;4-(2,2-dimethylpropyl)-1-hydroxypyridin-1-ium;1-(2,2-dimethylpropyl)-3-methoxy-5-methylbenzene;4-(2,2-dimethylpropyl)-3-methoxyphenol;2-(2,2-dimethylpropyl)-5-methylphenol;4-(2,2-dimethylpropyl)-2-methylphenol;2-(2,2-dimethylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;3-methylbutylbenzene;bis(2-methyl-1-(4-methylphenyl)propan-1-one);3-methyl-5-(2-methylpropyl)phenol;5-methyl-2-(2-methylpropyl)phenol;2-methyl-4-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyridine;4-(2-methylpropyl)benzene-1,2-diol;5-(2-methylpropyl)-1H-indole;sulfur dioxide.

What is the SMILES notation for 1,2-dimethyl-4-(2-methylpropyl)benzene;5-(2,2-dimethylpropyl)benzene-1,3-diol;4-(2,2-dimethylpropyl)-1-hydroxypyridin-1-ium;1-(2,2-dimethylpropyl)-3-methoxy-5-methylbenzene;4-(2,2-dimethylpropyl)-3-methoxyphenol;2-(2,2-dimethylpropyl)-5-methylphenol;4-(2,2-dimethylpropyl)-2-methylphenol;2-(2,2-dimethylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;3-methylbutylbenzene;bis(2-methyl-1-(4-methylphenyl)propan-1-one);3-methyl-5-(2-methylpropyl)phenol;5-methyl-2-(2-methylpropyl)phenol;2-methyl-4-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyridine;4-(2-methylpropyl)benzene-1,2-diol;5-(2-methylpropyl)-1H-indole;sulfur dioxide?

The canonical SMILES for 1,2-dimethyl-4-(2-methylpropyl)benzene;5-(2,2-dimethylpropyl)benzene-1,3-diol;4-(2,2-dimethylpropyl)-1-hydroxypyridin-1-ium;1-(2,2-dimethylpropyl)-3-methoxy-5-methylbenzene;4-(2,2-dimethylpropyl)-3-methoxyphenol;2-(2,2-dimethylpropyl)-5-methylphenol;4-(2,2-dimethylpropyl)-2-methylphenol;2-(2,2-dimethylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;3-methylbutylbenzene;bis(2-methyl-1-(4-methylphenyl)propan-1-one);3-methyl-5-(2-methylpropyl)phenol;5-methyl-2-(2-methylpropyl)phenol;2-methyl-4-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyridine;4-(2-methylpropyl)benzene-1,2-diol;5-(2-methylpropyl)-1H-indole;sulfur dioxide is CC(C)(C)Cc1cc(O)cc(O)c1.CC(C)(C)Cc1cc[n+](O)cc1.CC(C)(C)Cc1ccccn1.CC(C)CCc1ccccc1.CC(C)Cc1ccc(F)cn1.CC(C)Cc1ccc(O)c(O)c1.CC(C)Cc1ccc2[nH]ccc2c1.COc1cc(C)cc(CC(C)(C)C)c1.COc1cc(O)ccc1CC(C)(C)C.Cc1cc(CC(C)(C)C)ccc1O.Cc1cc(CC(C)C)ccn1.Cc1cc(O)cc(CC(C)C)c1.Cc1ccc(C(=O)C(C)C)cc1.Cc1ccc(C(=O)C(C)C)cc1.Cc1ccc(CC(C)(C)C)c(O)c1.Cc1ccc(CC(C)C)c(O)c1.Cc1ccc(CC(C)C)cc1C.Cc1ccc(CC(C)C)cn1.O=S=O.

What is the InChIKey of 1,2-dimethyl-4-(2-methylpropyl)benzene;5-(2,2-dimethylpropyl)benzene-1,3-diol;4-(2,2-dimethylpropyl)-1-hydroxypyridin-1-ium;1-(2,2-dimethylpropyl)-3-methoxy-5-methylbenzene;4-(2,2-dimethylpropyl)-3-methoxyphenol;2-(2,2-dimethylpropyl)-5-methylphenol;4-(2,2-dimethylpropyl)-2-methylphenol;2-(2,2-dimethylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;3-methylbutylbenzene;bis(2-methyl-1-(4-methylphenyl)propan-1-one);3-methyl-5-(2-methylpropyl)phenol;5-methyl-2-(2-methylpropyl)phenol;2-methyl-4-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyridine;4-(2-methylpropyl)benzene-1,2-diol;5-(2-methylpropyl)-1H-indole;sulfur dioxide?

The InChIKey is NXBFJBALJLMIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O.C12H15N.C12H18O2.2C12H18O.C12H18.C11H16O2.C11H16O.2C11H14O.C11H16O.C11H16.C10H16NO.3C10H15N.C10H14O2.C9H12FN.O2S/c1-10-6-11(9-13(2,3)4)8-12(7-10)14-5;1-9(2)7-10-3-4-12-11(8-10)5-6-13-12;1-12(2,3)8-9-5-6-10(13)7-11(9)14-4;1-9-7-10(5-6-11(9)13)8-12(2,3)4;1-9-5-6-10(11(13)7-9)8-12(2,3)4;1-9(2)7-12-6-5-10(3)11(4)8-12;1-11(2,3)7-8-4-9(12)6-10(13)5-8;1-8(2)4-10-5-9(3)6-11(12)7-10;2*1-8(2)11(12)10-6-4-9(3)5-7-10;1-8(2)6-10-5-4-9(3)7-11(10)12;1-10(2)8-9-11-6-4-3-5-7-11;1-10(2,3)8-9-4-6-11(12)7-5-9;1-8(2)6-10-4-5-11-9(3)7-10;1-8(2)6-10-5-4-9(3)11-7-10;1-10(2,3)8-9-6-4-5-7-11-9;1-7(2)5-8-3-4-9(11)10(12)6-8;1-7(2)5-9-4-3-8(10)6-11-9;1-3-2/h6-8H,9H2,1-5H3;3-6,8-9,13H,7H2,1-2H3;5-7,13H,8H2,1-4H3;2*5-7,13H,8H2,1-4H3;5-6,8-9H,7H2,1-4H3;4-6,12-13H,7H2,1-3H3;5-8,12H,4H2,1-3H3;2*4-8H,1-3H3;4-5,7-8,12H,6H2,1-3H3;3-7,10H,8-9H2,1-2H3;4-7,12H,8H2,1-3H3;2*4-5,7-8H,6H2,1-3H3;4-7H,8H2,1-3H3;3-4,6-7,11-12H,5H2,1-2H3;3-4,6-7H,5H2,1-2H3;/q;;;;;;;;;;;;+1;;;;;;.

What are the key properties of 1,2-dimethyl-4-(2-methylpropyl)benzene;5-(2,2-dimethylpropyl)benzene-1,3-diol;4-(2,2-dimethylpropyl)-1-hydroxypyridin-1-ium;1-(2,2-dimethylpropyl)-3-methoxy-5-methylbenzene;4-(2,2-dimethylpropyl)-3-methoxyphenol;2-(2,2-dimethylpropyl)-5-methylphenol;4-(2,2-dimethylpropyl)-2-methylphenol;2-(2,2-dimethylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;3-methylbutylbenzene;bis(2-methyl-1-(4-methylphenyl)propan-1-one);3-methyl-5-(2-methylpropyl)phenol;5-methyl-2-(2-methylpropyl)phenol;2-methyl-4-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyridine;4-(2-methylpropyl)benzene-1,2-diol;5-(2-methylpropyl)-1H-indole;sulfur dioxide?

1,2-dimethyl-4-(2-methylpropyl)benzene;5-(2,2-dimethylpropyl)benzene-1,3-diol;4-(2,2-dimethylpropyl)-1-hydroxypyridin-1-ium;1-(2,2-dimethylpropyl)-3-methoxy-5-methylbenzene;4-(2,2-dimethylpropyl)-3-methoxyphenol;2-(2,2-dimethylpropyl)-5-methylphenol;4-(2,2-dimethylpropyl)-2-methylphenol;2-(2,2-dimethylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;3-methylbutylbenzene;bis(2-methyl-1-(4-methylphenyl)propan-1-one);3-methyl-5-(2-methylpropyl)phenol;5-methyl-2-(2-methylpropyl)phenol;2-methyl-4-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyridine;4-(2-methylpropyl)benzene-1,2-diol;5-(2-methylpropyl)-1H-indole;sulfur dioxide has a molecular weight of 3057.56 g/mol, XLogP of 51.15, 32 rotatable bonds, 11 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-dimethyl-4-(2-methylpropyl)benzene;5-(2,2-dimethylpropyl)benzene-1,3-diol;4-(2,2-dimethylpropyl)-1-hydroxypyridin-1-ium;1-(2,2-dimethylpropyl)-3-methoxy-5-methylbenzene;4-(2,2-dimethylpropyl)-3-methoxyphenol;2-(2,2-dimethylpropyl)-5-methylphenol;4-(2,2-dimethylpropyl)-2-methylphenol;2-(2,2-dimethylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;3-methylbutylbenzene;bis(2-methyl-1-(4-methylphenyl)propan-1-one);3-methyl-5-(2-methylpropyl)phenol;5-methyl-2-(2-methylpropyl)phenol;2-methyl-4-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyridine;4-(2-methylpropyl)benzene-1,2-diol;5-(2-methylpropyl)-1H-indole;sulfur dioxide is sourced from PubChem (CID 159909927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).