1-chloro-3-methyl-5-(2-methylpropyl)benzene;2-(3,5-difluoro-4-methylphenyl)-3-methylbutan-1-ol;2,3-difluoro-5-(2-methylpropyl)pyridine;1-fluoro-3-methyl-5-(3-methylbutan-2-yl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-(2-methylpropyl)benzene;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methyl-2-(3-methylphenyl)butan-1-ol;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);bis(1-methyl-4-(2-methylpropyl)benzene);2-methyl-5-(2-methylpropyl)thiophene

C169H242ClF10NO6S — CID 160791137

About 1-chloro-3-methyl-5-(2-methylpropyl)benzene;2-(3,5-difluoro-4-methylphenyl)-3-methylbutan-1-ol;2,3-difluoro-5-(2-methylpropyl)pyridine;1-fluoro-3-methyl-5-(3-methylbutan-2-yl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-(2-methylpropyl)benzene;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methyl-2-(3-methylphenyl)butan-1-ol;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);bis(1-methyl-4-(2-methylpropyl)benzene);2-methyl-5-(2-methylpropyl)thiophene

1-chloro-3-methyl-5-(2-methylpropyl)benzene;2-(3,5-difluoro-4-methylphenyl)-3-methylbutan-1-ol;2,3-difluoro-5-(2-methylpropyl)pyridine;1-fluoro-3-methyl-5-(3-methylbutan-2-yl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-(2-methylpropyl)benzene;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methyl-2-(3-methylphenyl)butan-1-ol;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);bis(1-methyl-4-(2-methylpropyl)benzene);2-methyl-5-(2-methylpropyl)thiophene (PubChem CID 160791137) has the molecular formula C169H242ClF10NO6S and a molecular weight of 2641.30 g/mol. Its IUPAC name is 1-chloro-3-methyl-5-(2-methylpropyl)benzene;2-(3,5-difluoro-4-methylphenyl)-3-methylbutan-1-ol;2,3-difluoro-5-(2-methylpropyl)pyridine;1-fluoro-3-methyl-5-(3-methylbutan-2-yl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-(2-methylpropyl)benzene;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methyl-2-(3-methylphenyl)butan-1-ol;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);bis(1-methyl-4-(2-methylpropyl)benzene);2-methyl-5-(2-methylpropyl)thiophene.

Molecular Properties

• Compound Name: 1-chloro-3-methyl-5-(2-methylpropyl)benzene;2-(3,5-difluoro-4-methylphenyl)-3-methylbutan-1-ol;2,3-difluoro-5-(2-methylpropyl)pyridine;1-fluoro-3-methyl-5-(3-methylbutan-2-yl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-(2-methylpropyl)benzene;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methyl-2-(3-methylphenyl)butan-1-ol;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);bis(1-methyl-4-(2-methylpropyl)benzene);2-methyl-5-(2-methylpropyl)thiophene
• PubChem CID: 160791137
• Molecular Formula: C169H242ClF10NO6S
• Molecular Weight: 2641.30 g/mol
• Exact Mass: 2638.79
• IUPAC Name: 1-chloro-3-methyl-5-(2-methylpropyl)benzene;2-(3,5-difluoro-4-methylphenyl)-3-methylbutan-1-ol;2,3-difluoro-5-(2-methylpropyl)pyridine;1-fluoro-3-methyl-5-(3-methylbutan-2-yl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-(2-methylpropyl)benzene;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methyl-2-(3-methylphenyl)butan-1-ol;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);bis(1-methyl-4-(2-methylpropyl)benzene);2-methyl-5-(2-methylpropyl)thiophene
• SMILES: C.C.CC(C)C1CCOc2ccc(F)cc21.CC(C)Cc1cccc(F)c1.CC(C)Cc1cnc(F)c(F)c1.Cc1c(F)cc(C(CO)C(C)C)cc1F.Cc1cc(CC(C)C)ccc1F.Cc1cc(Cl)cc(CC(C)C)c1.Cc1cc(F)cc(C(C)C(C)C)c1.Cc1cc(F)cc(C(CO)C(C)C)c1.Cc1cc(F)cc(CC(C)C)c1.Cc1ccc(C(CO)C(C)C)cc1.Cc1ccc(C(CO)C(C)C)cc1.Cc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)s1.Cc1cccc(C(CO)C(C)C)c1
• InChI: InChI=1S/C12H16F2O.C12H15FO.C12H17FO.C12H17F.3C12H18O.C11H15Cl.2C11H15F.2C11H16.C10H13F.C9H11F2N.C9H14S.2CH4/c1-7(2)10(6-15)9-4-11(13)8(3)12(14)5-9;1-8(2)10-5-6-14-12-4-3-9(13)7-11(10)12;1-8(2)12(7-14)10-4-9(3)5-11(13)6-10;1-8(2)10(4)11-5-9(3)6-12(13)7-11;2*1-9(2)12(8-13)11-6-4-10(3)5-7-11;1-9(2)12(8-13)11-6-4-5-10(3)7-11;2*1-8(2)4-10-5-9(3)6-11(12)7-10;1-8(2)6-10-4-5-11(12)9(3)7-10;2*1-9(2)8-11-6-4-10(3)5-7-11;1-8(2)6-9-4-3-5-10(11)7-9;1-6(2)3-7-4-8(10)9(11)12-5-7;1-7(2)6-9-5-4-8(3)10-9;;/h4-5,7,10,15H,6H2,1-3H3;3-4,7-8,10H,5-6H2,1-2H3;4-6,8,12,14H,7H2,1-3H3;5-8,10H,1-4H3;3*4-7,9,12-13H,8H2,1-3H3;2*5-8H,4H2,1-3H3;4-5,7-8H,6H2,1-3H3;2*4-7,9H,8H2,1-3H3;3-5,7-8H,6H2,1-2H3;4-6H,3H2,1-2H3;4-5,7H,6H2,1-3H3;2*1H4
• InChIKey: SBVKOEJVTOFMTN-UHFFFAOYSA-N
• XLogP: 48.30
• TPSA: 123.27 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 34
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2641.30
LogP ≤ 5	48.30
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methyl-5-(2-methylpropyl)benzene;2-(3,5-difluoro-4-methylphenyl)-3-methylbutan-1-ol;2,3-difluoro-5-(2-methylpropyl)pyridine;1-fluoro-3-methyl-5-(3-methylbutan-2-yl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-(2-methylpropyl)benzene;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methyl-2-(3-methylphenyl)butan-1-ol;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);bis(1-methyl-4-(2-methylpropyl)benzene);2-methyl-5-(2-methylpropyl)thiophene?

The IUPAC name of 1-chloro-3-methyl-5-(2-methylpropyl)benzene;2-(3,5-difluoro-4-methylphenyl)-3-methylbutan-1-ol;2,3-difluoro-5-(2-methylpropyl)pyridine;1-fluoro-3-methyl-5-(3-methylbutan-2-yl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-(2-methylpropyl)benzene;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methyl-2-(3-methylphenyl)butan-1-ol;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);bis(1-methyl-4-(2-methylpropyl)benzene);2-methyl-5-(2-methylpropyl)thiophene (CID 160791137) is 1-chloro-3-methyl-5-(2-methylpropyl)benzene;2-(3,5-difluoro-4-methylphenyl)-3-methylbutan-1-ol;2,3-difluoro-5-(2-methylpropyl)pyridine;1-fluoro-3-methyl-5-(3-methylbutan-2-yl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-(2-methylpropyl)benzene;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methyl-2-(3-methylphenyl)butan-1-ol;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);bis(1-methyl-4-(2-methylpropyl)benzene);2-methyl-5-(2-methylpropyl)thiophene.

What is the SMILES notation for 1-chloro-3-methyl-5-(2-methylpropyl)benzene;2-(3,5-difluoro-4-methylphenyl)-3-methylbutan-1-ol;2,3-difluoro-5-(2-methylpropyl)pyridine;1-fluoro-3-methyl-5-(3-methylbutan-2-yl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-(2-methylpropyl)benzene;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methyl-2-(3-methylphenyl)butan-1-ol;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);bis(1-methyl-4-(2-methylpropyl)benzene);2-methyl-5-(2-methylpropyl)thiophene?

The canonical SMILES for 1-chloro-3-methyl-5-(2-methylpropyl)benzene;2-(3,5-difluoro-4-methylphenyl)-3-methylbutan-1-ol;2,3-difluoro-5-(2-methylpropyl)pyridine;1-fluoro-3-methyl-5-(3-methylbutan-2-yl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-(2-methylpropyl)benzene;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methyl-2-(3-methylphenyl)butan-1-ol;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);bis(1-methyl-4-(2-methylpropyl)benzene);2-methyl-5-(2-methylpropyl)thiophene is C.C.CC(C)C1CCOc2ccc(F)cc21.CC(C)Cc1cccc(F)c1.CC(C)Cc1cnc(F)c(F)c1.Cc1c(F)cc(C(CO)C(C)C)cc1F.Cc1cc(CC(C)C)ccc1F.Cc1cc(Cl)cc(CC(C)C)c1.Cc1cc(F)cc(C(C)C(C)C)c1.Cc1cc(F)cc(C(CO)C(C)C)c1.Cc1cc(F)cc(CC(C)C)c1.Cc1ccc(C(CO)C(C)C)cc1.Cc1ccc(C(CO)C(C)C)cc1.Cc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)s1.Cc1cccc(C(CO)C(C)C)c1.

What is the InChIKey of 1-chloro-3-methyl-5-(2-methylpropyl)benzene;2-(3,5-difluoro-4-methylphenyl)-3-methylbutan-1-ol;2,3-difluoro-5-(2-methylpropyl)pyridine;1-fluoro-3-methyl-5-(3-methylbutan-2-yl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-(2-methylpropyl)benzene;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methyl-2-(3-methylphenyl)butan-1-ol;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);bis(1-methyl-4-(2-methylpropyl)benzene);2-methyl-5-(2-methylpropyl)thiophene?

The InChIKey is SBVKOEJVTOFMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O.C12H15FO.C12H17FO.C12H17F.3C12H18O.C11H15Cl.2C11H15F.2C11H16.C10H13F.C9H11F2N.C9H14S.2CH4/c1-7(2)10(6-15)9-4-11(13)8(3)12(14)5-9;1-8(2)10-5-6-14-12-4-3-9(13)7-11(10)12;1-8(2)12(7-14)10-4-9(3)5-11(13)6-10;1-8(2)10(4)11-5-9(3)6-12(13)7-11;2*1-9(2)12(8-13)11-6-4-10(3)5-7-11;1-9(2)12(8-13)11-6-4-5-10(3)7-11;2*1-8(2)4-10-5-9(3)6-11(12)7-10;1-8(2)6-10-4-5-11(12)9(3)7-10;2*1-9(2)8-11-6-4-10(3)5-7-11;1-8(2)6-9-4-3-5-10(11)7-9;1-6(2)3-7-4-8(10)9(11)12-5-7;1-7(2)6-9-5-4-8(3)10-9;;/h4-5,7,10,15H,6H2,1-3H3;3-4,7-8,10H,5-6H2,1-2H3;4-6,8,12,14H,7H2,1-3H3;5-8,10H,1-4H3;3*4-7,9,12-13H,8H2,1-3H3;2*5-8H,4H2,1-3H3;4-5,7-8H,6H2,1-3H3;2*4-7,9H,8H2,1-3H3;3-5,7-8H,6H2,1-2H3;4-6H,3H2,1-2H3;4-5,7H,6H2,1-3H3;2*1H4.

What are the key properties of 1-chloro-3-methyl-5-(2-methylpropyl)benzene;2-(3,5-difluoro-4-methylphenyl)-3-methylbutan-1-ol;2,3-difluoro-5-(2-methylpropyl)pyridine;1-fluoro-3-methyl-5-(3-methylbutan-2-yl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-(2-methylpropyl)benzene;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methyl-2-(3-methylphenyl)butan-1-ol;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);bis(1-methyl-4-(2-methylpropyl)benzene);2-methyl-5-(2-methylpropyl)thiophene?

1-chloro-3-methyl-5-(2-methylpropyl)benzene;2-(3,5-difluoro-4-methylphenyl)-3-methylbutan-1-ol;2,3-difluoro-5-(2-methylpropyl)pyridine;1-fluoro-3-methyl-5-(3-methylbutan-2-yl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-(2-methylpropyl)benzene;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methyl-2-(3-methylphenyl)butan-1-ol;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);bis(1-methyl-4-(2-methylpropyl)benzene);2-methyl-5-(2-methylpropyl)thiophene has a molecular weight of 2641.30 g/mol, XLogP of 48.30, 34 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-3-methyl-5-(2-methylpropyl)benzene;2-(3,5-difluoro-4-methylphenyl)-3-methylbutan-1-ol;2,3-difluoro-5-(2-methylpropyl)pyridine;1-fluoro-3-methyl-5-(3-methylbutan-2-yl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-(2-methylpropyl)benzene;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;3-methyl-2-(3-methylphenyl)butan-1-ol;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);bis(1-methyl-4-(2-methylpropyl)benzene);2-methyl-5-(2-methylpropyl)thiophene is sourced from PubChem (CID 160791137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).