2-tert-butyl-1,4-dimethylbenzene;2,4-ditert-butyl-1-methylbenzene;2,5-dimethyl-1,3-di(propan-2-yl)benzene;1,4-dimethyl-2-propan-2-ylbenzene;1,2,3,5-tetrafluoro-4,6-dimethylbenzene;1,2,3,5-tetramethylbenzene;1,2,4-trimethylbenzene;1,4-xylene

C87H122F4 — CID 163530054

About 2-tert-butyl-1,4-dimethylbenzene;2,4-ditert-butyl-1-methylbenzene;2,5-dimethyl-1,3-di(propan-2-yl)benzene;1,4-dimethyl-2-propan-2-ylbenzene;1,2,3,5-tetrafluoro-4,6-dimethylbenzene;1,2,3,5-tetramethylbenzene;1,2,4-trimethylbenzene;1,4-xylene

2-tert-butyl-1,4-dimethylbenzene;2,4-ditert-butyl-1-methylbenzene;2,5-dimethyl-1,3-di(propan-2-yl)benzene;1,4-dimethyl-2-propan-2-ylbenzene;1,2,3,5-tetrafluoro-4,6-dimethylbenzene;1,2,3,5-tetramethylbenzene;1,2,4-trimethylbenzene;1,4-xylene (PubChem CID 163530054) has the molecular formula C87H122F4 and a molecular weight of 1243.92 g/mol. Its IUPAC name is 2-tert-butyl-1,4-dimethylbenzene;2,4-ditert-butyl-1-methylbenzene;2,5-dimethyl-1,3-di(propan-2-yl)benzene;1,4-dimethyl-2-propan-2-ylbenzene;1,2,3,5-tetrafluoro-4,6-dimethylbenzene;1,2,3,5-tetramethylbenzene;1,2,4-trimethylbenzene;1,4-xylene.

Molecular Properties

• Compound Name: 2-tert-butyl-1,4-dimethylbenzene;2,4-ditert-butyl-1-methylbenzene;2,5-dimethyl-1,3-di(propan-2-yl)benzene;1,4-dimethyl-2-propan-2-ylbenzene;1,2,3,5-tetrafluoro-4,6-dimethylbenzene;1,2,3,5-tetramethylbenzene;1,2,4-trimethylbenzene;1,4-xylene
• PubChem CID: 163530054
• Molecular Formula: C87H122F4
• Molecular Weight: 1243.92 g/mol
• Exact Mass: 1242.95
• IUPAC Name: 2-tert-butyl-1,4-dimethylbenzene;2,4-ditert-butyl-1-methylbenzene;2,5-dimethyl-1,3-di(propan-2-yl)benzene;1,4-dimethyl-2-propan-2-ylbenzene;1,2,3,5-tetrafluoro-4,6-dimethylbenzene;1,2,3,5-tetramethylbenzene;1,2,4-trimethylbenzene;1,4-xylene
• SMILES: Cc1c(F)c(C)c(F)c(F)c1F.Cc1cc(C(C)C)c(C)c(C(C)C)c1.Cc1cc(C)c(C)c(C)c1.Cc1ccc(C(C)(C)C)cc1C(C)(C)C.Cc1ccc(C)c(C(C)(C)C)c1.Cc1ccc(C)c(C(C)C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)cc1
• InChI: InChI=1S/C15H24.C14H22.C12H18.C11H16.C10H14.C9H12.C8H6F4.C8H10/c1-11-8-9-12(14(2,3)4)10-13(11)15(5,6)7;1-9(2)13-7-11(5)8-14(10(3)4)12(13)6;1-9-6-7-10(2)11(8-9)12(3,4)5;1-8(2)11-7-9(3)5-6-10(11)4;1-7-5-8(2)10(4)9(3)6-7;1-7-4-5-8(2)9(3)6-7;1-3-5(9)4(2)7(11)8(12)6(3)10;1-7-3-5-8(2)6-4-7/h8-10H,1-7H3;7-10H,1-6H3;6-8H,1-5H3;5-8H,1-4H3;5-6H,1-4H3;4-6H,1-3H3;1-2H3;3-6H,1-2H3
• InChIKey: DSEUKUMOVOAZHZ-UHFFFAOYSA-N
• XLogP: 26.86
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1243.92
LogP ≤ 5	26.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,4-dimethylbenzene;2,4-ditert-butyl-1-methylbenzene;2,5-dimethyl-1,3-di(propan-2-yl)benzene;1,4-dimethyl-2-propan-2-ylbenzene;1,2,3,5-tetrafluoro-4,6-dimethylbenzene;1,2,3,5-tetramethylbenzene;1,2,4-trimethylbenzene;1,4-xylene?

The IUPAC name of 2-tert-butyl-1,4-dimethylbenzene;2,4-ditert-butyl-1-methylbenzene;2,5-dimethyl-1,3-di(propan-2-yl)benzene;1,4-dimethyl-2-propan-2-ylbenzene;1,2,3,5-tetrafluoro-4,6-dimethylbenzene;1,2,3,5-tetramethylbenzene;1,2,4-trimethylbenzene;1,4-xylene (CID 163530054) is 2-tert-butyl-1,4-dimethylbenzene;2,4-ditert-butyl-1-methylbenzene;2,5-dimethyl-1,3-di(propan-2-yl)benzene;1,4-dimethyl-2-propan-2-ylbenzene;1,2,3,5-tetrafluoro-4,6-dimethylbenzene;1,2,3,5-tetramethylbenzene;1,2,4-trimethylbenzene;1,4-xylene.

What is the SMILES notation for 2-tert-butyl-1,4-dimethylbenzene;2,4-ditert-butyl-1-methylbenzene;2,5-dimethyl-1,3-di(propan-2-yl)benzene;1,4-dimethyl-2-propan-2-ylbenzene;1,2,3,5-tetrafluoro-4,6-dimethylbenzene;1,2,3,5-tetramethylbenzene;1,2,4-trimethylbenzene;1,4-xylene?

The canonical SMILES for 2-tert-butyl-1,4-dimethylbenzene;2,4-ditert-butyl-1-methylbenzene;2,5-dimethyl-1,3-di(propan-2-yl)benzene;1,4-dimethyl-2-propan-2-ylbenzene;1,2,3,5-tetrafluoro-4,6-dimethylbenzene;1,2,3,5-tetramethylbenzene;1,2,4-trimethylbenzene;1,4-xylene is Cc1c(F)c(C)c(F)c(F)c1F.Cc1cc(C(C)C)c(C)c(C(C)C)c1.Cc1cc(C)c(C)c(C)c1.Cc1ccc(C(C)(C)C)cc1C(C)(C)C.Cc1ccc(C)c(C(C)(C)C)c1.Cc1ccc(C)c(C(C)C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)cc1.

What is the InChIKey of 2-tert-butyl-1,4-dimethylbenzene;2,4-ditert-butyl-1-methylbenzene;2,5-dimethyl-1,3-di(propan-2-yl)benzene;1,4-dimethyl-2-propan-2-ylbenzene;1,2,3,5-tetrafluoro-4,6-dimethylbenzene;1,2,3,5-tetramethylbenzene;1,2,4-trimethylbenzene;1,4-xylene?

The InChIKey is DSEUKUMOVOAZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24.C14H22.C12H18.C11H16.C10H14.C9H12.C8H6F4.C8H10/c1-11-8-9-12(14(2,3)4)10-13(11)15(5,6)7;1-9(2)13-7-11(5)8-14(10(3)4)12(13)6;1-9-6-7-10(2)11(8-9)12(3,4)5;1-8(2)11-7-9(3)5-6-10(11)4;1-7-5-8(2)10(4)9(3)6-7;1-7-4-5-8(2)9(3)6-7;1-3-5(9)4(2)7(11)8(12)6(3)10;1-7-3-5-8(2)6-4-7/h8-10H,1-7H3;7-10H,1-6H3;6-8H,1-5H3;5-8H,1-4H3;5-6H,1-4H3;4-6H,1-3H3;1-2H3;3-6H,1-2H3.

What are the key properties of 2-tert-butyl-1,4-dimethylbenzene;2,4-ditert-butyl-1-methylbenzene;2,5-dimethyl-1,3-di(propan-2-yl)benzene;1,4-dimethyl-2-propan-2-ylbenzene;1,2,3,5-tetrafluoro-4,6-dimethylbenzene;1,2,3,5-tetramethylbenzene;1,2,4-trimethylbenzene;1,4-xylene?

2-tert-butyl-1,4-dimethylbenzene;2,4-ditert-butyl-1-methylbenzene;2,5-dimethyl-1,3-di(propan-2-yl)benzene;1,4-dimethyl-2-propan-2-ylbenzene;1,2,3,5-tetrafluoro-4,6-dimethylbenzene;1,2,3,5-tetramethylbenzene;1,2,4-trimethylbenzene;1,4-xylene has a molecular weight of 1243.92 g/mol, XLogP of 26.86, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-1,4-dimethylbenzene;2,4-ditert-butyl-1-methylbenzene;2,5-dimethyl-1,3-di(propan-2-yl)benzene;1,4-dimethyl-2-propan-2-ylbenzene;1,2,3,5-tetrafluoro-4,6-dimethylbenzene;1,2,3,5-tetramethylbenzene;1,2,4-trimethylbenzene;1,4-xylene is sourced from PubChem (CID 163530054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).