1-bromo-2,3-dimethylbenzene;4-bromo-1,2-dimethylbenzene;1-tert-butyl-2-methylbenzene;bis(1-chloro-2,3-dimethylbenzene);1,2-dimethyl-3-propan-2-ylbenzene;bis(1-fluoro-2,3-dimethylbenzene);4-methoxy-1,2-dimethylbenzene;1,2,3,5-tetramethylbenzene;bis(1,2,3-trimethylbenzene);1,2,4-trimethylbenzene;tris(1,2-xylene)

C140H178Br2Cl2F2O — CID 158206013

About 1-bromo-2,3-dimethylbenzene;4-bromo-1,2-dimethylbenzene;1-tert-butyl-2-methylbenzene;bis(1-chloro-2,3-dimethylbenzene);1,2-dimethyl-3-propan-2-ylbenzene;bis(1-fluoro-2,3-dimethylbenzene);4-methoxy-1,2-dimethylbenzene;1,2,3,5-tetramethylbenzene;bis(1,2,3-trimethylbenzene);1,2,4-trimethylbenzene;tris(1,2-xylene)

1-bromo-2,3-dimethylbenzene;4-bromo-1,2-dimethylbenzene;1-tert-butyl-2-methylbenzene;bis(1-chloro-2,3-dimethylbenzene);1,2-dimethyl-3-propan-2-ylbenzene;bis(1-fluoro-2,3-dimethylbenzene);4-methoxy-1,2-dimethylbenzene;1,2,3,5-tetramethylbenzene;bis(1,2,3-trimethylbenzene);1,2,4-trimethylbenzene;tris(1,2-xylene) (PubChem CID 158206013) has the molecular formula C140H178Br2Cl2F2O and a molecular weight of 2145.67 g/mol. Its IUPAC name is 1-bromo-2,3-dimethylbenzene;4-bromo-1,2-dimethylbenzene;1-tert-butyl-2-methylbenzene;bis(1-chloro-2,3-dimethylbenzene);1,2-dimethyl-3-propan-2-ylbenzene;bis(1-fluoro-2,3-dimethylbenzene);4-methoxy-1,2-dimethylbenzene;1,2,3,5-tetramethylbenzene;bis(1,2,3-trimethylbenzene);1,2,4-trimethylbenzene;tris(1,2-xylene).

Molecular Properties

• Compound Name: 1-bromo-2,3-dimethylbenzene;4-bromo-1,2-dimethylbenzene;1-tert-butyl-2-methylbenzene;bis(1-chloro-2,3-dimethylbenzene);1,2-dimethyl-3-propan-2-ylbenzene;bis(1-fluoro-2,3-dimethylbenzene);4-methoxy-1,2-dimethylbenzene;1,2,3,5-tetramethylbenzene;bis(1,2,3-trimethylbenzene);1,2,4-trimethylbenzene;tris(1,2-xylene)
• PubChem CID: 158206013
• Molecular Formula: C140H178Br2Cl2F2O
• Molecular Weight: 2145.67 g/mol
• Exact Mass: 2141.16
• IUPAC Name: 1-bromo-2,3-dimethylbenzene;4-bromo-1,2-dimethylbenzene;1-tert-butyl-2-methylbenzene;bis(1-chloro-2,3-dimethylbenzene);1,2-dimethyl-3-propan-2-ylbenzene;bis(1-fluoro-2,3-dimethylbenzene);4-methoxy-1,2-dimethylbenzene;1,2,3,5-tetramethylbenzene;bis(1,2,3-trimethylbenzene);1,2,4-trimethylbenzene;tris(1,2-xylene)
• SMILES: COc1ccc(C)c(C)c1.Cc1cc(C)c(C)c(C)c1.Cc1ccc(Br)cc1C.Cc1ccc(C)c(C)c1.Cc1cccc(Br)c1C.Cc1cccc(C(C)C)c1C.Cc1cccc(C)c1C.Cc1cccc(C)c1C.Cc1cccc(Cl)c1C.Cc1cccc(Cl)c1C.Cc1cccc(F)c1C.Cc1cccc(F)c1C.Cc1ccccc1C.Cc1ccccc1C.Cc1ccccc1C.Cc1ccccc1C(C)(C)C
• InChI: InChI=1S/2C11H16.C10H14.C9H12O.3C9H12.2C8H9Br.2C8H9Cl.2C8H9F.3C8H10/c1-9-7-5-6-8-10(9)11(2,3)4;1-8(2)11-7-5-6-9(3)10(11)4;1-7-5-8(2)10(4)9(3)6-7;1-7-4-5-9(10-3)6-8(7)2;1-7-4-5-8(2)9(3)6-7;2*1-7-5-4-6-8(2)9(7)3;1-6-3-4-8(9)5-7(6)2;5*1-6-4-3-5-8(9)7(6)2;3*1-7-5-3-4-6-8(7)2/h2*5-8H,1-4H3;5-6H,1-4H3;4-6H,1-3H3;3*4-6H,1-3H3;6*3-5H,1-2H3;3*3-6H,1-2H3
• InChIKey: GBMSXNRMYKATJS-UHFFFAOYSA-N
• XLogP: 43.63
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2145.67
LogP ≤ 5	43.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,3-dimethylbenzene;4-bromo-1,2-dimethylbenzene;1-tert-butyl-2-methylbenzene;bis(1-chloro-2,3-dimethylbenzene);1,2-dimethyl-3-propan-2-ylbenzene;bis(1-fluoro-2,3-dimethylbenzene);4-methoxy-1,2-dimethylbenzene;1,2,3,5-tetramethylbenzene;bis(1,2,3-trimethylbenzene);1,2,4-trimethylbenzene;tris(1,2-xylene)?

The IUPAC name of 1-bromo-2,3-dimethylbenzene;4-bromo-1,2-dimethylbenzene;1-tert-butyl-2-methylbenzene;bis(1-chloro-2,3-dimethylbenzene);1,2-dimethyl-3-propan-2-ylbenzene;bis(1-fluoro-2,3-dimethylbenzene);4-methoxy-1,2-dimethylbenzene;1,2,3,5-tetramethylbenzene;bis(1,2,3-trimethylbenzene);1,2,4-trimethylbenzene;tris(1,2-xylene) (CID 158206013) is 1-bromo-2,3-dimethylbenzene;4-bromo-1,2-dimethylbenzene;1-tert-butyl-2-methylbenzene;bis(1-chloro-2,3-dimethylbenzene);1,2-dimethyl-3-propan-2-ylbenzene;bis(1-fluoro-2,3-dimethylbenzene);4-methoxy-1,2-dimethylbenzene;1,2,3,5-tetramethylbenzene;bis(1,2,3-trimethylbenzene);1,2,4-trimethylbenzene;tris(1,2-xylene).

What is the SMILES notation for 1-bromo-2,3-dimethylbenzene;4-bromo-1,2-dimethylbenzene;1-tert-butyl-2-methylbenzene;bis(1-chloro-2,3-dimethylbenzene);1,2-dimethyl-3-propan-2-ylbenzene;bis(1-fluoro-2,3-dimethylbenzene);4-methoxy-1,2-dimethylbenzene;1,2,3,5-tetramethylbenzene;bis(1,2,3-trimethylbenzene);1,2,4-trimethylbenzene;tris(1,2-xylene)?

The canonical SMILES for 1-bromo-2,3-dimethylbenzene;4-bromo-1,2-dimethylbenzene;1-tert-butyl-2-methylbenzene;bis(1-chloro-2,3-dimethylbenzene);1,2-dimethyl-3-propan-2-ylbenzene;bis(1-fluoro-2,3-dimethylbenzene);4-methoxy-1,2-dimethylbenzene;1,2,3,5-tetramethylbenzene;bis(1,2,3-trimethylbenzene);1,2,4-trimethylbenzene;tris(1,2-xylene) is COc1ccc(C)c(C)c1.Cc1cc(C)c(C)c(C)c1.Cc1ccc(Br)cc1C.Cc1ccc(C)c(C)c1.Cc1cccc(Br)c1C.Cc1cccc(C(C)C)c1C.Cc1cccc(C)c1C.Cc1cccc(C)c1C.Cc1cccc(Cl)c1C.Cc1cccc(Cl)c1C.Cc1cccc(F)c1C.Cc1cccc(F)c1C.Cc1ccccc1C.Cc1ccccc1C.Cc1ccccc1C.Cc1ccccc1C(C)(C)C.

What is the InChIKey of 1-bromo-2,3-dimethylbenzene;4-bromo-1,2-dimethylbenzene;1-tert-butyl-2-methylbenzene;bis(1-chloro-2,3-dimethylbenzene);1,2-dimethyl-3-propan-2-ylbenzene;bis(1-fluoro-2,3-dimethylbenzene);4-methoxy-1,2-dimethylbenzene;1,2,3,5-tetramethylbenzene;bis(1,2,3-trimethylbenzene);1,2,4-trimethylbenzene;tris(1,2-xylene)?

The InChIKey is GBMSXNRMYKATJS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H16.C10H14.C9H12O.3C9H12.2C8H9Br.2C8H9Cl.2C8H9F.3C8H10/c1-9-7-5-6-8-10(9)11(2,3)4;1-8(2)11-7-5-6-9(3)10(11)4;1-7-5-8(2)10(4)9(3)6-7;1-7-4-5-9(10-3)6-8(7)2;1-7-4-5-8(2)9(3)6-7;2*1-7-5-4-6-8(2)9(7)3;1-6-3-4-8(9)5-7(6)2;5*1-6-4-3-5-8(9)7(6)2;3*1-7-5-3-4-6-8(7)2/h2*5-8H,1-4H3;5-6H,1-4H3;4-6H,1-3H3;3*4-6H,1-3H3;6*3-5H,1-2H3;3*3-6H,1-2H3.

What are the key properties of 1-bromo-2,3-dimethylbenzene;4-bromo-1,2-dimethylbenzene;1-tert-butyl-2-methylbenzene;bis(1-chloro-2,3-dimethylbenzene);1,2-dimethyl-3-propan-2-ylbenzene;bis(1-fluoro-2,3-dimethylbenzene);4-methoxy-1,2-dimethylbenzene;1,2,3,5-tetramethylbenzene;bis(1,2,3-trimethylbenzene);1,2,4-trimethylbenzene;tris(1,2-xylene)?

1-bromo-2,3-dimethylbenzene;4-bromo-1,2-dimethylbenzene;1-tert-butyl-2-methylbenzene;bis(1-chloro-2,3-dimethylbenzene);1,2-dimethyl-3-propan-2-ylbenzene;bis(1-fluoro-2,3-dimethylbenzene);4-methoxy-1,2-dimethylbenzene;1,2,3,5-tetramethylbenzene;bis(1,2,3-trimethylbenzene);1,2,4-trimethylbenzene;tris(1,2-xylene) has a molecular weight of 2145.67 g/mol, XLogP of 43.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-2,3-dimethylbenzene;4-bromo-1,2-dimethylbenzene;1-tert-butyl-2-methylbenzene;bis(1-chloro-2,3-dimethylbenzene);1,2-dimethyl-3-propan-2-ylbenzene;bis(1-fluoro-2,3-dimethylbenzene);4-methoxy-1,2-dimethylbenzene;1,2,3,5-tetramethylbenzene;bis(1,2,3-trimethylbenzene);1,2,4-trimethylbenzene;tris(1,2-xylene) is sourced from PubChem (CID 158206013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).