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

C175H172F24O7S2 — CID 161453648

IUPAC4-(benzenesulfonyl)-1,2-dimethylbenzene;bis(4-methylphenyl)methanol;(3,4-dimethylphenyl)-phenylmethanol;1,2-dimethyl-4-(2-phenylpropan-2-yl)benzene;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-3-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-4-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-1,2-dimethylbenzene;1-methyl-3-[2-(3-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;(3-methylphenyl)-(4-methylphenyl)methanol
SMILESCc1ccc(C(C)(C)c2ccccc2)cc1C.Cc1ccc(C(O)c2ccc(C)cc2)cc1.Cc1ccc(C(O)c2cccc(C)c2)cc1.Cc1ccc(C(O)c2ccccc2)cc1C.Cc1ccc(C(c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)cc1.Cc1ccc(C(c2cccc(C)c2)(C(F)(F)F)C(F)(F)F)cc1.Cc1ccc(C(c2ccccc2)(C(F)(F)F)C(F)(F)F)cc1C.Cc1ccc(S(=O)(=O)c2ccccc2)cc1C.Cc1cccc(C(C)(C)c2cccc(C)c2)c1.Cc1cccc(C(c2cccc(C)c2)(C(F)(F)F)C(F)(F)F)c1.Cc1cccc(S(=O)(=O)c2cccc(C)c2)c1
InChIInChI=1S/4C17H14F6.2C17H20.3C15H16O.2C14H14O2S/c1-11-3-7-13(8-4-11)15(16(18,19)20,17(21,22)23)14-9-5-12(2)6-10-14;1-11-5-3-7-13(9-11)15(16(18,19)20,17(21,22)23)14-8-4-6-12(2)10-14;1-11-6-8-13(9-7-11)15(16(18,19)20,17(21,22)23)14-5-3-4-12(2)10-14;1-11-8-9-14(10-12(11)2)15(16(18,19)20,17(21,22)23)13-6-4-3-5-7-13;1-13-7-5-9-15(11-13)17(3,4)16-10-6-8-14(2)12-16;1-13-10-11-16(12-14(13)2)17(3,4)15-8-6-5-7-9-15;1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14;1-11-6-8-13(9-7-11)15(16)14-5-3-4-12(2)10-14;1-11-8-9-14(10-12(11)2)15(16)13-6-4-3-5-7-13;1-11-5-3-7-13(9-11)17(15,16)14-8-4-6-12(2)10-14;1-11-8-9-14(10-12(11)2)17(15,16)13-6-4-3-5-7-13/h4*3-10H,1-2H3;2*5-12H,1-4H3;3*3-10,15-16H,1-2H3;2*3-10H,1-2H3
InChIKeyWAWAJAHKPNOVJA-UHFFFAOYSA-N
MW2907.38 g/mol
LogP48.54
Rot. Bonds22

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

4-(benzenesulfonyl)-1,2-dimethylbenzene;bis(4-methylphenyl)methanol;(3,4-dimethylphenyl)-phenylmethanol;1,2-dimethyl-4-(2-phenylpropan-2-yl)benzene;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-3-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-4-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-1,2-dimethylbenzene;1-methyl-3-[2-(3-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;(3-methylphenyl)-(4-methylphenyl)methanol (PubChem CID 161453648) has the molecular formula C175H172F24O7S2 and a molecular weight of 2907.38 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-1,2-dimethylbenzene;bis(4-methylphenyl)methanol;(3,4-dimethylphenyl)-phenylmethanol;1,2-dimethyl-4-(2-phenylpropan-2-yl)benzene;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-3-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-4-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-1,2-dimethylbenzene;1-methyl-3-[2-(3-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;(3-methylphenyl)-(4-methylphenyl)methanol.

Molecular Properties

Compound Name4-(benzenesulfonyl)-1,2-dimethylbenzene;bis(4-methylphenyl)methanol;(3,4-dimethylphenyl)-phenylmethanol;1,2-dimethyl-4-(2-phenylpropan-2-yl)benzene;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-3-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-4-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-1,2-dimethylbenzene;1-methyl-3-[2-(3-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;(3-methylphenyl)-(4-methylphenyl)methanol
PubChem CID161453648
Molecular FormulaC175H172F24O7S2
Molecular Weight2907.38 g/mol
Exact Mass2905.22
IUPAC Name4-(benzenesulfonyl)-1,2-dimethylbenzene;bis(4-methylphenyl)methanol;(3,4-dimethylphenyl)-phenylmethanol;1,2-dimethyl-4-(2-phenylpropan-2-yl)benzene;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-3-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-4-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-1,2-dimethylbenzene;1-methyl-3-[2-(3-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;(3-methylphenyl)-(4-methylphenyl)methanol
SMILESCc1ccc(C(C)(C)c2ccccc2)cc1C.Cc1ccc(C(O)c2ccc(C)cc2)cc1.Cc1ccc(C(O)c2cccc(C)c2)cc1.Cc1ccc(C(O)c2ccccc2)cc1C.Cc1ccc(C(c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)cc1.Cc1ccc(C(c2cccc(C)c2)(C(F)(F)F)C(F)(F)F)cc1.Cc1ccc(C(c2ccccc2)(C(F)(F)F)C(F)(F)F)cc1C.Cc1ccc(S(=O)(=O)c2ccccc2)cc1C.Cc1cccc(C(C)(C)c2cccc(C)c2)c1.Cc1cccc(C(c2cccc(C)c2)(C(F)(F)F)C(F)(F)F)c1.Cc1cccc(S(=O)(=O)c2cccc(C)c2)c1
InChIInChI=1S/4C17H14F6.2C17H20.3C15H16O.2C14H14O2S/c1-11-3-7-13(8-4-11)15(16(18,19)20,17(21,22)23)14-9-5-12(2)6-10-14;1-11-5-3-7-13(9-11)15(16(18,19)20,17(21,22)23)14-8-4-6-12(2)10-14;1-11-6-8-13(9-7-11)15(16(18,19)20,17(21,22)23)14-5-3-4-12(2)10-14;1-11-8-9-14(10-12(11)2)15(16(18,19)20,17(21,22)23)13-6-4-3-5-7-13;1-13-7-5-9-15(11-13)17(3,4)16-10-6-8-14(2)12-16;1-13-10-11-16(12-14(13)2)17(3,4)15-8-6-5-7-9-15;1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14;1-11-6-8-13(9-7-11)15(16)14-5-3-4-12(2)10-14;1-11-8-9-14(10-12(11)2)15(16)13-6-4-3-5-7-13;1-11-5-3-7-13(9-11)17(15,16)14-8-4-6-12(2)10-14;1-11-8-9-14(10-12(11)2)17(15,16)13-6-4-3-5-7-13/h4*3-10H,1-2H3;2*5-12H,1-4H3;3*3-10,15-16H,1-2H3;2*3-10H,1-2H3
InChIKeyWAWAJAHKPNOVJA-UHFFFAOYSA-N
XLogP48.54
TPSA128.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds22
Heavy Atoms208
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002907.38
LogP ≤ 548.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-1,2-dimethylbenzene;bis(4-methylphenyl)methanol;(3,4-dimethylphenyl)-phenylmethanol;1,2-dimethyl-4-(2-phenylpropan-2-yl)benzene;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-3-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-4-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-1,2-dimethylbenzene;1-methyl-3-[2-(3-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;(3-methylphenyl)-(4-methylphenyl)methanol?
The IUPAC name of 4-(benzenesulfonyl)-1,2-dimethylbenzene;bis(4-methylphenyl)methanol;(3,4-dimethylphenyl)-phenylmethanol;1,2-dimethyl-4-(2-phenylpropan-2-yl)benzene;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-3-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-4-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-1,2-dimethylbenzene;1-methyl-3-[2-(3-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;(3-methylphenyl)-(4-methylphenyl)methanol (CID 161453648) is 4-(benzenesulfonyl)-1,2-dimethylbenzene;bis(4-methylphenyl)methanol;(3,4-dimethylphenyl)-phenylmethanol;1,2-dimethyl-4-(2-phenylpropan-2-yl)benzene;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-3-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-4-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-1,2-dimethylbenzene;1-methyl-3-[2-(3-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;(3-methylphenyl)-(4-methylphenyl)methanol.
What is the SMILES notation for 4-(benzenesulfonyl)-1,2-dimethylbenzene;bis(4-methylphenyl)methanol;(3,4-dimethylphenyl)-phenylmethanol;1,2-dimethyl-4-(2-phenylpropan-2-yl)benzene;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-3-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-4-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-1,2-dimethylbenzene;1-methyl-3-[2-(3-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;(3-methylphenyl)-(4-methylphenyl)methanol?
The canonical SMILES for 4-(benzenesulfonyl)-1,2-dimethylbenzene;bis(4-methylphenyl)methanol;(3,4-dimethylphenyl)-phenylmethanol;1,2-dimethyl-4-(2-phenylpropan-2-yl)benzene;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-3-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-4-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-1,2-dimethylbenzene;1-methyl-3-[2-(3-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;(3-methylphenyl)-(4-methylphenyl)methanol is Cc1ccc(C(C)(C)c2ccccc2)cc1C.Cc1ccc(C(O)c2ccc(C)cc2)cc1.Cc1ccc(C(O)c2cccc(C)c2)cc1.Cc1ccc(C(O)c2ccccc2)cc1C.Cc1ccc(C(c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)cc1.Cc1ccc(C(c2cccc(C)c2)(C(F)(F)F)C(F)(F)F)cc1.Cc1ccc(C(c2ccccc2)(C(F)(F)F)C(F)(F)F)cc1C.Cc1ccc(S(=O)(=O)c2ccccc2)cc1C.Cc1cccc(C(C)(C)c2cccc(C)c2)c1.Cc1cccc(C(c2cccc(C)c2)(C(F)(F)F)C(F)(F)F)c1.Cc1cccc(S(=O)(=O)c2cccc(C)c2)c1.
What is the InChIKey of 4-(benzenesulfonyl)-1,2-dimethylbenzene;bis(4-methylphenyl)methanol;(3,4-dimethylphenyl)-phenylmethanol;1,2-dimethyl-4-(2-phenylpropan-2-yl)benzene;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-3-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-4-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-1,2-dimethylbenzene;1-methyl-3-[2-(3-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;(3-methylphenyl)-(4-methylphenyl)methanol?
The InChIKey is WAWAJAHKPNOVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/4C17H14F6.2C17H20.3C15H16O.2C14H14O2S/c1-11-3-7-13(8-4-11)15(16(18,19)20,17(21,22)23)14-9-5-12(2)6-10-14;1-11-5-3-7-13(9-11)15(16(18,19)20,17(21,22)23)14-8-4-6-12(2)10-14;1-11-6-8-13(9-7-11)15(16(18,19)20,17(21,22)23)14-5-3-4-12(2)10-14;1-11-8-9-14(10-12(11)2)15(16(18,19)20,17(21,22)23)13-6-4-3-5-7-13;1-13-7-5-9-15(11-13)17(3,4)16-10-6-8-14(2)12-16;1-13-10-11-16(12-14(13)2)17(3,4)15-8-6-5-7-9-15;1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14;1-11-6-8-13(9-7-11)15(16)14-5-3-4-12(2)10-14;1-11-8-9-14(10-12(11)2)15(16)13-6-4-3-5-7-13;1-11-5-3-7-13(9-11)17(15,16)14-8-4-6-12(2)10-14;1-11-8-9-14(10-12(11)2)17(15,16)13-6-4-3-5-7-13/h4*3-10H,1-2H3;2*5-12H,1-4H3;3*3-10,15-16H,1-2H3;2*3-10H,1-2H3.
What are the key properties of 4-(benzenesulfonyl)-1,2-dimethylbenzene;bis(4-methylphenyl)methanol;(3,4-dimethylphenyl)-phenylmethanol;1,2-dimethyl-4-(2-phenylpropan-2-yl)benzene;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-3-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-4-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-1,2-dimethylbenzene;1-methyl-3-[2-(3-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;(3-methylphenyl)-(4-methylphenyl)methanol?
4-(benzenesulfonyl)-1,2-dimethylbenzene;bis(4-methylphenyl)methanol;(3,4-dimethylphenyl)-phenylmethanol;1,2-dimethyl-4-(2-phenylpropan-2-yl)benzene;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-3-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-4-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-1,2-dimethylbenzene;1-methyl-3-[2-(3-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;(3-methylphenyl)-(4-methylphenyl)methanol has a molecular weight of 2907.38 g/mol, XLogP of 48.54, 22 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-1,2-dimethylbenzene;bis(4-methylphenyl)methanol;(3,4-dimethylphenyl)-phenylmethanol;1,2-dimethyl-4-(2-phenylpropan-2-yl)benzene;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-3-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-4-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-1,2-dimethylbenzene;1-methyl-3-[2-(3-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;(3-methylphenyl)-(4-methylphenyl)methanol is sourced from PubChem (CID 161453648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).