4-[difluoro-(3-methylphenyl)methyl]-1,2-dimethylbenzene;4-[difluoro-(4-methylphenyl)methyl]-1,2-dimethylbenzene;bis(1,2-dimethyl-4-(2-methylphenoxy)benzene);1,2-dimethyl-4-[(2-methylphenyl)methyl]benzene;bis(1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene);1,2-dimethyl-4-[(4-methylphenyl)methyl]benzene;bis(1,2-dimethyl-4-(2-methylphenyl)sulfanylbenzene);1,2-dimethyl-4-(3-methylphenyl)sulfanylbenzene;1,2-dimethyl-4-(4-methylphenyl)sulfanylbenzene

C186H200F4O2S4 — CID 158580549

About 4-[difluoro-(3-methylphenyl)methyl]-1,2-dimethylbenzene;4-[difluoro-(4-methylphenyl)methyl]-1,2-dimethylbenzene;bis(1,2-dimethyl-4-(2-methylphenoxy)benzene);1,2-dimethyl-4-[(2-methylphenyl)methyl]benzene;bis(1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene);1,2-dimethyl-4-[(4-methylphenyl)methyl]benzene;bis(1,2-dimethyl-4-(2-methylphenyl)sulfanylbenzene);1,2-dimethyl-4-(3-methylphenyl)sulfanylbenzene;1,2-dimethyl-4-(4-methylphenyl)sulfanylbenzene

4-[difluoro-(3-methylphenyl)methyl]-1,2-dimethylbenzene;4-[difluoro-(4-methylphenyl)methyl]-1,2-dimethylbenzene;bis(1,2-dimethyl-4-(2-methylphenoxy)benzene);1,2-dimethyl-4-[(2-methylphenyl)methyl]benzene;bis(1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene);1,2-dimethyl-4-[(4-methylphenyl)methyl]benzene;bis(1,2-dimethyl-4-(2-methylphenyl)sulfanylbenzene);1,2-dimethyl-4-(3-methylphenyl)sulfanylbenzene;1,2-dimethyl-4-(4-methylphenyl)sulfanylbenzene (PubChem CID 158580549) has the molecular formula C186H200F4O2S4 and a molecular weight of 2671.90 g/mol. Its IUPAC name is 4-[difluoro-(3-methylphenyl)methyl]-1,2-dimethylbenzene;4-[difluoro-(4-methylphenyl)methyl]-1,2-dimethylbenzene;bis(1,2-dimethyl-4-(2-methylphenoxy)benzene);1,2-dimethyl-4-[(2-methylphenyl)methyl]benzene;bis(1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene);1,2-dimethyl-4-[(4-methylphenyl)methyl]benzene;bis(1,2-dimethyl-4-(2-methylphenyl)sulfanylbenzene);1,2-dimethyl-4-(3-methylphenyl)sulfanylbenzene;1,2-dimethyl-4-(4-methylphenyl)sulfanylbenzene.

Molecular Properties

• Compound Name: 4-[difluoro-(3-methylphenyl)methyl]-1,2-dimethylbenzene;4-[difluoro-(4-methylphenyl)methyl]-1,2-dimethylbenzene;bis(1,2-dimethyl-4-(2-methylphenoxy)benzene);1,2-dimethyl-4-[(2-methylphenyl)methyl]benzene;bis(1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene);1,2-dimethyl-4-[(4-methylphenyl)methyl]benzene;bis(1,2-dimethyl-4-(2-methylphenyl)sulfanylbenzene);1,2-dimethyl-4-(3-methylphenyl)sulfanylbenzene;1,2-dimethyl-4-(4-methylphenyl)sulfanylbenzene
• PubChem CID: 158580549
• Molecular Formula: C186H200F4O2S4
• Molecular Weight: 2671.90 g/mol
• Exact Mass: 2669.44
• IUPAC Name: 4-[difluoro-(3-methylphenyl)methyl]-1,2-dimethylbenzene;4-[difluoro-(4-methylphenyl)methyl]-1,2-dimethylbenzene;bis(1,2-dimethyl-4-(2-methylphenoxy)benzene);1,2-dimethyl-4-[(2-methylphenyl)methyl]benzene;bis(1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene);1,2-dimethyl-4-[(4-methylphenyl)methyl]benzene;bis(1,2-dimethyl-4-(2-methylphenyl)sulfanylbenzene);1,2-dimethyl-4-(3-methylphenyl)sulfanylbenzene;1,2-dimethyl-4-(4-methylphenyl)sulfanylbenzene
• SMILES: Cc1ccc(C(F)(F)c2ccc(C)c(C)c2)cc1.Cc1ccc(Cc2ccc(C)c(C)c2)cc1.Cc1ccc(Cc2ccccc2C)cc1C.Cc1ccc(Oc2ccccc2C)cc1C.Cc1ccc(Oc2ccccc2C)cc1C.Cc1ccc(Sc2ccc(C)c(C)c2)cc1.Cc1ccc(Sc2ccccc2C)cc1C.Cc1ccc(Sc2ccccc2C)cc1C.Cc1cccc(C(F)(F)c2ccc(C)c(C)c2)c1.Cc1cccc(Cc2ccc(C)c(C)c2)c1.Cc1cccc(Cc2ccc(C)c(C)c2)c1.Cc1cccc(Sc2ccc(C)c(C)c2)c1
• InChI: InChI=1S/2C16H16F2.4C16H18.2C15H16O.4C15H16S/c1-11-4-7-14(8-5-11)16(17,18)15-9-6-12(2)13(3)10-15;1-11-5-4-6-14(9-11)16(17,18)15-8-7-12(2)13(3)10-15;1-12-4-7-15(8-5-12)11-16-9-6-13(2)14(3)10-16;2*1-12-5-4-6-15(9-12)11-16-8-7-13(2)14(3)10-16;1-12-8-9-15(10-14(12)3)11-16-7-5-4-6-13(16)2;2*1-11-8-9-14(10-13(11)3)16-15-7-5-4-6-12(15)2;1-11-4-7-14(8-5-11)16-15-9-6-12(2)13(3)10-15;1-11-5-4-6-14(9-11)16-15-8-7-12(2)13(3)10-15;2*1-11-8-9-14(10-13(11)3)16-15-7-5-4-6-12(15)2/h2*4-10H,1-3H3;4*4-10H,11H2,1-3H3;6*4-10H,1-3H3
• InChIKey: HTEXLIPXDGUTDG-UHFFFAOYSA-N
• XLogP: 54.18
• TPSA: 18.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 24
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2671.90
LogP ≤ 5	54.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[difluoro-(3-methylphenyl)methyl]-1,2-dimethylbenzene;4-[difluoro-(4-methylphenyl)methyl]-1,2-dimethylbenzene;bis(1,2-dimethyl-4-(2-methylphenoxy)benzene);1,2-dimethyl-4-[(2-methylphenyl)methyl]benzene;bis(1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene);1,2-dimethyl-4-[(4-methylphenyl)methyl]benzene;bis(1,2-dimethyl-4-(2-methylphenyl)sulfanylbenzene);1,2-dimethyl-4-(3-methylphenyl)sulfanylbenzene;1,2-dimethyl-4-(4-methylphenyl)sulfanylbenzene?

The IUPAC name of 4-[difluoro-(3-methylphenyl)methyl]-1,2-dimethylbenzene;4-[difluoro-(4-methylphenyl)methyl]-1,2-dimethylbenzene;bis(1,2-dimethyl-4-(2-methylphenoxy)benzene);1,2-dimethyl-4-[(2-methylphenyl)methyl]benzene;bis(1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene);1,2-dimethyl-4-[(4-methylphenyl)methyl]benzene;bis(1,2-dimethyl-4-(2-methylphenyl)sulfanylbenzene);1,2-dimethyl-4-(3-methylphenyl)sulfanylbenzene;1,2-dimethyl-4-(4-methylphenyl)sulfanylbenzene (CID 158580549) is 4-[difluoro-(3-methylphenyl)methyl]-1,2-dimethylbenzene;4-[difluoro-(4-methylphenyl)methyl]-1,2-dimethylbenzene;bis(1,2-dimethyl-4-(2-methylphenoxy)benzene);1,2-dimethyl-4-[(2-methylphenyl)methyl]benzene;bis(1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene);1,2-dimethyl-4-[(4-methylphenyl)methyl]benzene;bis(1,2-dimethyl-4-(2-methylphenyl)sulfanylbenzene);1,2-dimethyl-4-(3-methylphenyl)sulfanylbenzene;1,2-dimethyl-4-(4-methylphenyl)sulfanylbenzene.

What is the SMILES notation for 4-[difluoro-(3-methylphenyl)methyl]-1,2-dimethylbenzene;4-[difluoro-(4-methylphenyl)methyl]-1,2-dimethylbenzene;bis(1,2-dimethyl-4-(2-methylphenoxy)benzene);1,2-dimethyl-4-[(2-methylphenyl)methyl]benzene;bis(1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene);1,2-dimethyl-4-[(4-methylphenyl)methyl]benzene;bis(1,2-dimethyl-4-(2-methylphenyl)sulfanylbenzene);1,2-dimethyl-4-(3-methylphenyl)sulfanylbenzene;1,2-dimethyl-4-(4-methylphenyl)sulfanylbenzene?

The canonical SMILES for 4-[difluoro-(3-methylphenyl)methyl]-1,2-dimethylbenzene;4-[difluoro-(4-methylphenyl)methyl]-1,2-dimethylbenzene;bis(1,2-dimethyl-4-(2-methylphenoxy)benzene);1,2-dimethyl-4-[(2-methylphenyl)methyl]benzene;bis(1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene);1,2-dimethyl-4-[(4-methylphenyl)methyl]benzene;bis(1,2-dimethyl-4-(2-methylphenyl)sulfanylbenzene);1,2-dimethyl-4-(3-methylphenyl)sulfanylbenzene;1,2-dimethyl-4-(4-methylphenyl)sulfanylbenzene is Cc1ccc(C(F)(F)c2ccc(C)c(C)c2)cc1.Cc1ccc(Cc2ccc(C)c(C)c2)cc1.Cc1ccc(Cc2ccccc2C)cc1C.Cc1ccc(Oc2ccccc2C)cc1C.Cc1ccc(Oc2ccccc2C)cc1C.Cc1ccc(Sc2ccc(C)c(C)c2)cc1.Cc1ccc(Sc2ccccc2C)cc1C.Cc1ccc(Sc2ccccc2C)cc1C.Cc1cccc(C(F)(F)c2ccc(C)c(C)c2)c1.Cc1cccc(Cc2ccc(C)c(C)c2)c1.Cc1cccc(Cc2ccc(C)c(C)c2)c1.Cc1cccc(Sc2ccc(C)c(C)c2)c1.

What is the InChIKey of 4-[difluoro-(3-methylphenyl)methyl]-1,2-dimethylbenzene;4-[difluoro-(4-methylphenyl)methyl]-1,2-dimethylbenzene;bis(1,2-dimethyl-4-(2-methylphenoxy)benzene);1,2-dimethyl-4-[(2-methylphenyl)methyl]benzene;bis(1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene);1,2-dimethyl-4-[(4-methylphenyl)methyl]benzene;bis(1,2-dimethyl-4-(2-methylphenyl)sulfanylbenzene);1,2-dimethyl-4-(3-methylphenyl)sulfanylbenzene;1,2-dimethyl-4-(4-methylphenyl)sulfanylbenzene?

The InChIKey is HTEXLIPXDGUTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H16F2.4C16H18.2C15H16O.4C15H16S/c1-11-4-7-14(8-5-11)16(17,18)15-9-6-12(2)13(3)10-15;1-11-5-4-6-14(9-11)16(17,18)15-8-7-12(2)13(3)10-15;1-12-4-7-15(8-5-12)11-16-9-6-13(2)14(3)10-16;2*1-12-5-4-6-15(9-12)11-16-8-7-13(2)14(3)10-16;1-12-8-9-15(10-14(12)3)11-16-7-5-4-6-13(16)2;2*1-11-8-9-14(10-13(11)3)16-15-7-5-4-6-12(15)2;1-11-4-7-14(8-5-11)16-15-9-6-12(2)13(3)10-15;1-11-5-4-6-14(9-11)16-15-8-7-12(2)13(3)10-15;2*1-11-8-9-14(10-13(11)3)16-15-7-5-4-6-12(15)2/h2*4-10H,1-3H3;4*4-10H,11H2,1-3H3;6*4-10H,1-3H3.

What are the key properties of 4-[difluoro-(3-methylphenyl)methyl]-1,2-dimethylbenzene;4-[difluoro-(4-methylphenyl)methyl]-1,2-dimethylbenzene;bis(1,2-dimethyl-4-(2-methylphenoxy)benzene);1,2-dimethyl-4-[(2-methylphenyl)methyl]benzene;bis(1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene);1,2-dimethyl-4-[(4-methylphenyl)methyl]benzene;bis(1,2-dimethyl-4-(2-methylphenyl)sulfanylbenzene);1,2-dimethyl-4-(3-methylphenyl)sulfanylbenzene;1,2-dimethyl-4-(4-methylphenyl)sulfanylbenzene?

4-[difluoro-(3-methylphenyl)methyl]-1,2-dimethylbenzene;4-[difluoro-(4-methylphenyl)methyl]-1,2-dimethylbenzene;bis(1,2-dimethyl-4-(2-methylphenoxy)benzene);1,2-dimethyl-4-[(2-methylphenyl)methyl]benzene;bis(1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene);1,2-dimethyl-4-[(4-methylphenyl)methyl]benzene;bis(1,2-dimethyl-4-(2-methylphenyl)sulfanylbenzene);1,2-dimethyl-4-(3-methylphenyl)sulfanylbenzene;1,2-dimethyl-4-(4-methylphenyl)sulfanylbenzene has a molecular weight of 2671.90 g/mol, XLogP of 54.18, 24 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[difluoro-(3-methylphenyl)methyl]-1,2-dimethylbenzene;4-[difluoro-(4-methylphenyl)methyl]-1,2-dimethylbenzene;bis(1,2-dimethyl-4-(2-methylphenoxy)benzene);1,2-dimethyl-4-[(2-methylphenyl)methyl]benzene;bis(1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene);1,2-dimethyl-4-[(4-methylphenyl)methyl]benzene;bis(1,2-dimethyl-4-(2-methylphenyl)sulfanylbenzene);1,2-dimethyl-4-(3-methylphenyl)sulfanylbenzene;1,2-dimethyl-4-(4-methylphenyl)sulfanylbenzene is sourced from PubChem (CID 158580549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).