1,2-dimethyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;methane;bis(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);1-phenyl-4-propan-2-ylbenzene;1,2,4-trimethyl-5-propan-2-ylbenzene

C155H250 — CID 160990037

About 1,2-dimethyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;methane;bis(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);1-phenyl-4-propan-2-ylbenzene;1,2,4-trimethyl-5-propan-2-ylbenzene

1,2-dimethyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;methane;bis(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);1-phenyl-4-propan-2-ylbenzene;1,2,4-trimethyl-5-propan-2-ylbenzene (PubChem CID 160990037) has the molecular formula C155H250 and a molecular weight of 2113.70 g/mol. Its IUPAC name is 1,2-dimethyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;methane;bis(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);1-phenyl-4-propan-2-ylbenzene;1,2,4-trimethyl-5-propan-2-ylbenzene.

Molecular Properties

• Compound Name: 1,2-dimethyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;methane;bis(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);1-phenyl-4-propan-2-ylbenzene;1,2,4-trimethyl-5-propan-2-ylbenzene
• PubChem CID: 160990037
• Molecular Formula: C155H250
• Molecular Weight: 2113.70 g/mol
• Exact Mass: 2111.96
• IUPAC Name: 1,2-dimethyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;methane;bis(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);1-phenyl-4-propan-2-ylbenzene;1,2,4-trimethyl-5-propan-2-ylbenzene
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)c1ccc(-c2ccccc2)cc1.Cc1cc(C)c(C(C)C)cc1C.Cc1cc(C)cc(C(C)C)c1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1C.Cc1ccc(C)c(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1C.Cc1ccccc1C(C)C.Cc1ccccc1C(C)C
• InChI: InChI=1S/C15H16.C12H18.5C11H16.6C10H14.13CH4/c1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-8(2)12-7-10(4)9(3)6-11(12)5;1-8(2)11-6-9(3)5-10(4)7-11;1-8(2)11-6-5-9(3)10(4)7-11;1-8(2)11-6-5-9(3)7-10(11)4;1-8(2)11-7-9(3)5-6-10(11)4;1-8(2)11-7-5-6-9(3)10(11)4;2*1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)10-6-4-5-9(3)7-10;2*1-8(2)10-7-5-4-6-9(10)3;;;;;;;;;;;;;/h3-12H,1-2H3;6-8H,1-5H3;5*5-8H,1-4H3;6*4-8H,1-3H3;13*1H4
• InChIKey: TUMOKAGLCRCZJK-UHFFFAOYSA-N
• XLogP: 52.33
• TPSA: 0.00 Ų
• Rotatable Bonds: 14
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2113.70
LogP ≤ 5	52.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;methane;bis(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);1-phenyl-4-propan-2-ylbenzene;1,2,4-trimethyl-5-propan-2-ylbenzene?

The IUPAC name of 1,2-dimethyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;methane;bis(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);1-phenyl-4-propan-2-ylbenzene;1,2,4-trimethyl-5-propan-2-ylbenzene (CID 160990037) is 1,2-dimethyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;methane;bis(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);1-phenyl-4-propan-2-ylbenzene;1,2,4-trimethyl-5-propan-2-ylbenzene.

What is the SMILES notation for 1,2-dimethyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;methane;bis(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);1-phenyl-4-propan-2-ylbenzene;1,2,4-trimethyl-5-propan-2-ylbenzene?

The canonical SMILES for 1,2-dimethyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;methane;bis(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);1-phenyl-4-propan-2-ylbenzene;1,2,4-trimethyl-5-propan-2-ylbenzene is C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)c1ccc(-c2ccccc2)cc1.Cc1cc(C)c(C(C)C)cc1C.Cc1cc(C)cc(C(C)C)c1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1C.Cc1ccc(C)c(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1C.Cc1ccccc1C(C)C.Cc1ccccc1C(C)C.

What is the InChIKey of 1,2-dimethyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;methane;bis(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);1-phenyl-4-propan-2-ylbenzene;1,2,4-trimethyl-5-propan-2-ylbenzene?

The InChIKey is TUMOKAGLCRCZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16.C12H18.5C11H16.6C10H14.13CH4/c1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-8(2)12-7-10(4)9(3)6-11(12)5;1-8(2)11-6-9(3)5-10(4)7-11;1-8(2)11-6-5-9(3)10(4)7-11;1-8(2)11-6-5-9(3)7-10(11)4;1-8(2)11-7-9(3)5-6-10(11)4;1-8(2)11-7-5-6-9(3)10(11)4;2*1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)10-6-4-5-9(3)7-10;2*1-8(2)10-7-5-4-6-9(10)3;;;;;;;;;;;;;/h3-12H,1-2H3;6-8H,1-5H3;5*5-8H,1-4H3;6*4-8H,1-3H3;13*1H4.

What are the key properties of 1,2-dimethyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;methane;bis(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);1-phenyl-4-propan-2-ylbenzene;1,2,4-trimethyl-5-propan-2-ylbenzene?

1,2-dimethyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;methane;bis(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);1-phenyl-4-propan-2-ylbenzene;1,2,4-trimethyl-5-propan-2-ylbenzene has a molecular weight of 2113.70 g/mol, XLogP of 52.33, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-dimethyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;methane;bis(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);1-phenyl-4-propan-2-ylbenzene;1,2,4-trimethyl-5-propan-2-ylbenzene is sourced from PubChem (CID 160990037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).