1,2-dimethyl-4-[2-(2-methylphenyl)propan-2-yl]benzene;1,2-dimethyl-4-[2-(3-methylphenyl)propan-2-yl]benzene;1,2-dimethyl-4-(3-methylphenyl)sulfonylbenzene;1,2-dimethyl-4-(4-methylphenyl)sulfonylbenzene;bis((3,4-dimethylphenyl)-(3-methylphenyl)methanol);(3,4-dimethylphenyl)-(4-methylphenyl)methanol;4-[1,1,1,3,3,3-hexafluoro-2-(2-methylphenyl)propan-2-yl]-1,2-dimethylbenzene;bis(4-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-1,2-dimethylbenzene);4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-1,2-dimethylbenzene

C186H194F24O7S2 — CID 161173705

IUPAC1,2-dimethyl-4-[2-(2-methylphenyl)propan-2-yl]benzene;1,2-dimethyl-4-[2-(3-methylphenyl)propan-2-yl]benzene;1,2-dimethyl-4-(3-methylphenyl)sulfonylbenzene;1,2-dimethyl-4-(4-methylphenyl)sulfonylbenzene;bis((3,4-dimethylphenyl)-(3-methylphenyl)methanol);(3,4-dimethylphenyl)-(4-methylphenyl)methanol;4-[1,1,1,3,3,3-hexafluoro-2-(2-methylphenyl)propan-2-yl]-1,2-dimethylbenzene;bis(4-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-1,2-dimethylbenzene);4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-1,2-dimethylbenzene
SMILESCc1ccc(C(C)(C)c2ccccc2C)cc1C.Cc1ccc(C(O)c2ccc(C)c(C)c2)cc1.Cc1ccc(C(c2ccc(C)c(C)c2)(C(F)(F)F)C(F)(F)F)cc1.Cc1ccc(C(c2ccccc2C)(C(F)(F)F)C(F)(F)F)cc1C.Cc1ccc(S(=O)(=O)c2ccc(C)c(C)c2)cc1.Cc1cccc(C(C)(C)c2ccc(C)c(C)c2)c1.Cc1cccc(C(O)c2ccc(C)c(C)c2)c1.Cc1cccc(C(O)c2ccc(C)c(C)c2)c1.Cc1cccc(C(c2ccc(C)c(C)c2)(C(F)(F)F)C(F)(F)F)c1.Cc1cccc(C(c2ccc(C)c(C)c2)(C(F)(F)F)C(F)(F)F)c1.Cc1cccc(S(=O)(=O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/4C18H16F6.2C18H22.3C16H18O.2C15H16O2S/c1-11-4-7-14(8-5-11)16(17(19,20)21,18(22,23)24)15-9-6-12(2)13(3)10-15;2*1-11-5-4-6-14(9-11)16(17(19,20)21,18(22,23)24)15-8-7-12(2)13(3)10-15;1-11-8-9-14(10-13(11)3)16(17(19,20)21,18(22,23)24)15-7-5-4-6-12(15)2;1-13-7-6-8-16(11-13)18(4,5)17-10-9-14(2)15(3)12-17;1-13-10-11-16(12-15(13)3)18(4,5)17-9-7-6-8-14(17)2;1-11-4-7-14(8-5-11)16(17)15-9-6-12(2)13(3)10-15;2*1-11-5-4-6-14(9-11)16(17)15-8-7-12(2)13(3)10-15;1-11-4-7-14(8-5-11)18(16,17)15-9-6-12(2)13(3)10-15;1-11-5-4-6-14(9-11)18(16,17)15-8-7-12(2)13(3)10-15/h4*4-10H,1-3H3;2*6-12H,1-5H3;3*4-10,16-17H,1-3H3;2*4-10H,1-3H3
InChIKeyURNGHACURRIZRB-UHFFFAOYSA-N
MW3061.68 g/mol
LogP51.94
Rot. Bonds22

About 1,2-dimethyl-4-[2-(2-methylphenyl)propan-2-yl]benzene;1,2-dimethyl-4-[2-(3-methylphenyl)propan-2-yl]benzene;1,2-dimethyl-4-(3-methylphenyl)sulfonylbenzene;1,2-dimethyl-4-(4-methylphenyl)sulfonylbenzene;bis((3,4-dimethylphenyl)-(3-methylphenyl)methanol);(3,4-dimethylphenyl)-(4-methylphenyl)methanol;4-[1,1,1,3,3,3-hexafluoro-2-(2-methylphenyl)propan-2-yl]-1,2-dimethylbenzene;bis(4-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-1,2-dimethylbenzene);4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-1,2-dimethylbenzene

1,2-dimethyl-4-[2-(2-methylphenyl)propan-2-yl]benzene;1,2-dimethyl-4-[2-(3-methylphenyl)propan-2-yl]benzene;1,2-dimethyl-4-(3-methylphenyl)sulfonylbenzene;1,2-dimethyl-4-(4-methylphenyl)sulfonylbenzene;bis((3,4-dimethylphenyl)-(3-methylphenyl)methanol);(3,4-dimethylphenyl)-(4-methylphenyl)methanol;4-[1,1,1,3,3,3-hexafluoro-2-(2-methylphenyl)propan-2-yl]-1,2-dimethylbenzene;bis(4-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-1,2-dimethylbenzene);4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-1,2-dimethylbenzene (PubChem CID 161173705) has the molecular formula C186H194F24O7S2 and a molecular weight of 3061.68 g/mol. Its IUPAC name is 1,2-dimethyl-4-[2-(2-methylphenyl)propan-2-yl]benzene;1,2-dimethyl-4-[2-(3-methylphenyl)propan-2-yl]benzene;1,2-dimethyl-4-(3-methylphenyl)sulfonylbenzene;1,2-dimethyl-4-(4-methylphenyl)sulfonylbenzene;bis((3,4-dimethylphenyl)-(3-methylphenyl)methanol);(3,4-dimethylphenyl)-(4-methylphenyl)methanol;4-[1,1,1,3,3,3-hexafluoro-2-(2-methylphenyl)propan-2-yl]-1,2-dimethylbenzene;bis(4-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-1,2-dimethylbenzene);4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-1,2-dimethylbenzene.

Molecular Properties

Compound Name1,2-dimethyl-4-[2-(2-methylphenyl)propan-2-yl]benzene;1,2-dimethyl-4-[2-(3-methylphenyl)propan-2-yl]benzene;1,2-dimethyl-4-(3-methylphenyl)sulfonylbenzene;1,2-dimethyl-4-(4-methylphenyl)sulfonylbenzene;bis((3,4-dimethylphenyl)-(3-methylphenyl)methanol);(3,4-dimethylphenyl)-(4-methylphenyl)methanol;4-[1,1,1,3,3,3-hexafluoro-2-(2-methylphenyl)propan-2-yl]-1,2-dimethylbenzene;bis(4-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-1,2-dimethylbenzene);4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-1,2-dimethylbenzene
PubChem CID161173705
Molecular FormulaC186H194F24O7S2
Molecular Weight3061.68 g/mol
Exact Mass3059.39
IUPAC Name1,2-dimethyl-4-[2-(2-methylphenyl)propan-2-yl]benzene;1,2-dimethyl-4-[2-(3-methylphenyl)propan-2-yl]benzene;1,2-dimethyl-4-(3-methylphenyl)sulfonylbenzene;1,2-dimethyl-4-(4-methylphenyl)sulfonylbenzene;bis((3,4-dimethylphenyl)-(3-methylphenyl)methanol);(3,4-dimethylphenyl)-(4-methylphenyl)methanol;4-[1,1,1,3,3,3-hexafluoro-2-(2-methylphenyl)propan-2-yl]-1,2-dimethylbenzene;bis(4-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-1,2-dimethylbenzene);4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-1,2-dimethylbenzene
SMILESCc1ccc(C(C)(C)c2ccccc2C)cc1C.Cc1ccc(C(O)c2ccc(C)c(C)c2)cc1.Cc1ccc(C(c2ccc(C)c(C)c2)(C(F)(F)F)C(F)(F)F)cc1.Cc1ccc(C(c2ccccc2C)(C(F)(F)F)C(F)(F)F)cc1C.Cc1ccc(S(=O)(=O)c2ccc(C)c(C)c2)cc1.Cc1cccc(C(C)(C)c2ccc(C)c(C)c2)c1.Cc1cccc(C(O)c2ccc(C)c(C)c2)c1.Cc1cccc(C(O)c2ccc(C)c(C)c2)c1.Cc1cccc(C(c2ccc(C)c(C)c2)(C(F)(F)F)C(F)(F)F)c1.Cc1cccc(C(c2ccc(C)c(C)c2)(C(F)(F)F)C(F)(F)F)c1.Cc1cccc(S(=O)(=O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/4C18H16F6.2C18H22.3C16H18O.2C15H16O2S/c1-11-4-7-14(8-5-11)16(17(19,20)21,18(22,23)24)15-9-6-12(2)13(3)10-15;2*1-11-5-4-6-14(9-11)16(17(19,20)21,18(22,23)24)15-8-7-12(2)13(3)10-15;1-11-8-9-14(10-13(11)3)16(17(19,20)21,18(22,23)24)15-7-5-4-6-12(15)2;1-13-7-6-8-16(11-13)18(4,5)17-10-9-14(2)15(3)12-17;1-13-10-11-16(12-15(13)3)18(4,5)17-9-7-6-8-14(17)2;1-11-4-7-14(8-5-11)16(17)15-9-6-12(2)13(3)10-15;2*1-11-5-4-6-14(9-11)16(17)15-8-7-12(2)13(3)10-15;1-11-4-7-14(8-5-11)18(16,17)15-9-6-12(2)13(3)10-15;1-11-5-4-6-14(9-11)18(16,17)15-8-7-12(2)13(3)10-15/h4*4-10H,1-3H3;2*6-12H,1-5H3;3*4-10,16-17H,1-3H3;2*4-10H,1-3H3
InChIKeyURNGHACURRIZRB-UHFFFAOYSA-N
XLogP51.94
TPSA128.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds22
Heavy Atoms219
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003061.68
LogP ≤ 551.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1,2-dimethyl-4-[2-(2-methylphenyl)propan-2-yl]benzene;1,2-dimethyl-4-[2-(3-methylphenyl)propan-2-yl]benzene;1,2-dimethyl-4-(3-methylphenyl)sulfonylbenzene;1,2-dimethyl-4-(4-methylphenyl)sulfonylbenzene;bis((3,4-dimethylphenyl)-(3-methylphenyl)methanol);(3,4-dimethylphenyl)-(4-methylphenyl)methanol;4-[1,1,1,3,3,3-hexafluoro-2-(2-methylphenyl)propan-2-yl]-1,2-dimethylbenzene;bis(4-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-1,2-dimethylbenzene);4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-1,2-dimethylbenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-[2-(2-methylphenyl)propan-2-yl]benzene;1,2-dimethyl-4-[2-(3-methylphenyl)propan-2-yl]benzene;1,2-dimethyl-4-(3-methylphenyl)sulfonylbenzene;1,2-dimethyl-4-(4-methylphenyl)sulfonylbenzene;bis((3,4-dimethylphenyl)-(3-methylphenyl)methanol);(3,4-dimethylphenyl)-(4-methylphenyl)methanol;4-[1,1,1,3,3,3-hexafluoro-2-(2-methylphenyl)propan-2-yl]-1,2-dimethylbenzene;bis(4-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-1,2-dimethylbenzene);4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-1,2-dimethylbenzene?
The IUPAC name of 1,2-dimethyl-4-[2-(2-methylphenyl)propan-2-yl]benzene;1,2-dimethyl-4-[2-(3-methylphenyl)propan-2-yl]benzene;1,2-dimethyl-4-(3-methylphenyl)sulfonylbenzene;1,2-dimethyl-4-(4-methylphenyl)sulfonylbenzene;bis((3,4-dimethylphenyl)-(3-methylphenyl)methanol);(3,4-dimethylphenyl)-(4-methylphenyl)methanol;4-[1,1,1,3,3,3-hexafluoro-2-(2-methylphenyl)propan-2-yl]-1,2-dimethylbenzene;bis(4-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-1,2-dimethylbenzene);4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-1,2-dimethylbenzene (CID 161173705) is 1,2-dimethyl-4-[2-(2-methylphenyl)propan-2-yl]benzene;1,2-dimethyl-4-[2-(3-methylphenyl)propan-2-yl]benzene;1,2-dimethyl-4-(3-methylphenyl)sulfonylbenzene;1,2-dimethyl-4-(4-methylphenyl)sulfonylbenzene;bis((3,4-dimethylphenyl)-(3-methylphenyl)methanol);(3,4-dimethylphenyl)-(4-methylphenyl)methanol;4-[1,1,1,3,3,3-hexafluoro-2-(2-methylphenyl)propan-2-yl]-1,2-dimethylbenzene;bis(4-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-1,2-dimethylbenzene);4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-1,2-dimethylbenzene.
What is the SMILES notation for 1,2-dimethyl-4-[2-(2-methylphenyl)propan-2-yl]benzene;1,2-dimethyl-4-[2-(3-methylphenyl)propan-2-yl]benzene;1,2-dimethyl-4-(3-methylphenyl)sulfonylbenzene;1,2-dimethyl-4-(4-methylphenyl)sulfonylbenzene;bis((3,4-dimethylphenyl)-(3-methylphenyl)methanol);(3,4-dimethylphenyl)-(4-methylphenyl)methanol;4-[1,1,1,3,3,3-hexafluoro-2-(2-methylphenyl)propan-2-yl]-1,2-dimethylbenzene;bis(4-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-1,2-dimethylbenzene);4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-1,2-dimethylbenzene?
The canonical SMILES for 1,2-dimethyl-4-[2-(2-methylphenyl)propan-2-yl]benzene;1,2-dimethyl-4-[2-(3-methylphenyl)propan-2-yl]benzene;1,2-dimethyl-4-(3-methylphenyl)sulfonylbenzene;1,2-dimethyl-4-(4-methylphenyl)sulfonylbenzene;bis((3,4-dimethylphenyl)-(3-methylphenyl)methanol);(3,4-dimethylphenyl)-(4-methylphenyl)methanol;4-[1,1,1,3,3,3-hexafluoro-2-(2-methylphenyl)propan-2-yl]-1,2-dimethylbenzene;bis(4-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-1,2-dimethylbenzene);4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-1,2-dimethylbenzene is Cc1ccc(C(C)(C)c2ccccc2C)cc1C.Cc1ccc(C(O)c2ccc(C)c(C)c2)cc1.Cc1ccc(C(c2ccc(C)c(C)c2)(C(F)(F)F)C(F)(F)F)cc1.Cc1ccc(C(c2ccccc2C)(C(F)(F)F)C(F)(F)F)cc1C.Cc1ccc(S(=O)(=O)c2ccc(C)c(C)c2)cc1.Cc1cccc(C(C)(C)c2ccc(C)c(C)c2)c1.Cc1cccc(C(O)c2ccc(C)c(C)c2)c1.Cc1cccc(C(O)c2ccc(C)c(C)c2)c1.Cc1cccc(C(c2ccc(C)c(C)c2)(C(F)(F)F)C(F)(F)F)c1.Cc1cccc(C(c2ccc(C)c(C)c2)(C(F)(F)F)C(F)(F)F)c1.Cc1cccc(S(=O)(=O)c2ccc(C)c(C)c2)c1.
What is the InChIKey of 1,2-dimethyl-4-[2-(2-methylphenyl)propan-2-yl]benzene;1,2-dimethyl-4-[2-(3-methylphenyl)propan-2-yl]benzene;1,2-dimethyl-4-(3-methylphenyl)sulfonylbenzene;1,2-dimethyl-4-(4-methylphenyl)sulfonylbenzene;bis((3,4-dimethylphenyl)-(3-methylphenyl)methanol);(3,4-dimethylphenyl)-(4-methylphenyl)methanol;4-[1,1,1,3,3,3-hexafluoro-2-(2-methylphenyl)propan-2-yl]-1,2-dimethylbenzene;bis(4-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-1,2-dimethylbenzene);4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-1,2-dimethylbenzene?
The InChIKey is URNGHACURRIZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/4C18H16F6.2C18H22.3C16H18O.2C15H16O2S/c1-11-4-7-14(8-5-11)16(17(19,20)21,18(22,23)24)15-9-6-12(2)13(3)10-15;2*1-11-5-4-6-14(9-11)16(17(19,20)21,18(22,23)24)15-8-7-12(2)13(3)10-15;1-11-8-9-14(10-13(11)3)16(17(19,20)21,18(22,23)24)15-7-5-4-6-12(15)2;1-13-7-6-8-16(11-13)18(4,5)17-10-9-14(2)15(3)12-17;1-13-10-11-16(12-15(13)3)18(4,5)17-9-7-6-8-14(17)2;1-11-4-7-14(8-5-11)16(17)15-9-6-12(2)13(3)10-15;2*1-11-5-4-6-14(9-11)16(17)15-8-7-12(2)13(3)10-15;1-11-4-7-14(8-5-11)18(16,17)15-9-6-12(2)13(3)10-15;1-11-5-4-6-14(9-11)18(16,17)15-8-7-12(2)13(3)10-15/h4*4-10H,1-3H3;2*6-12H,1-5H3;3*4-10,16-17H,1-3H3;2*4-10H,1-3H3.
What are the key properties of 1,2-dimethyl-4-[2-(2-methylphenyl)propan-2-yl]benzene;1,2-dimethyl-4-[2-(3-methylphenyl)propan-2-yl]benzene;1,2-dimethyl-4-(3-methylphenyl)sulfonylbenzene;1,2-dimethyl-4-(4-methylphenyl)sulfonylbenzene;bis((3,4-dimethylphenyl)-(3-methylphenyl)methanol);(3,4-dimethylphenyl)-(4-methylphenyl)methanol;4-[1,1,1,3,3,3-hexafluoro-2-(2-methylphenyl)propan-2-yl]-1,2-dimethylbenzene;bis(4-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-1,2-dimethylbenzene);4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-1,2-dimethylbenzene?
1,2-dimethyl-4-[2-(2-methylphenyl)propan-2-yl]benzene;1,2-dimethyl-4-[2-(3-methylphenyl)propan-2-yl]benzene;1,2-dimethyl-4-(3-methylphenyl)sulfonylbenzene;1,2-dimethyl-4-(4-methylphenyl)sulfonylbenzene;bis((3,4-dimethylphenyl)-(3-methylphenyl)methanol);(3,4-dimethylphenyl)-(4-methylphenyl)methanol;4-[1,1,1,3,3,3-hexafluoro-2-(2-methylphenyl)propan-2-yl]-1,2-dimethylbenzene;bis(4-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-1,2-dimethylbenzene);4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-1,2-dimethylbenzene has a molecular weight of 3061.68 g/mol, XLogP of 51.94, 22 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-[2-(2-methylphenyl)propan-2-yl]benzene;1,2-dimethyl-4-[2-(3-methylphenyl)propan-2-yl]benzene;1,2-dimethyl-4-(3-methylphenyl)sulfonylbenzene;1,2-dimethyl-4-(4-methylphenyl)sulfonylbenzene;bis((3,4-dimethylphenyl)-(3-methylphenyl)methanol);(3,4-dimethylphenyl)-(4-methylphenyl)methanol;4-[1,1,1,3,3,3-hexafluoro-2-(2-methylphenyl)propan-2-yl]-1,2-dimethylbenzene;bis(4-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-1,2-dimethylbenzene);4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-1,2-dimethylbenzene is sourced from PubChem (CID 161173705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).