bis(3,4-dimethylphenyl)methanone;3,5-dimethylbenzoic acid;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene

C162H176F6O9S — CID 161110186

IUPACbis(3,4-dimethylphenyl)methanone;3,5-dimethylbenzoic acid;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene
SMILESCc1cc(C)c(C)cc1C.Cc1cc(C)cc(C(=O)O)c1.Cc1ccc(-c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(=O)c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(c2ccc(C)c(C)c2)(C(F)(F)F)C(F)(F)F)cc1C.Cc1ccc(C)c2c(C)ccc(C)c12.Cc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(C)c(C)c4)cc3)cc2)cc1C.Cc1ccc(Oc2ccc(C)c(C)c2)cc1C.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C31H32O2.C19H18F6.C17H18O.C16H18O2S.C16H18O.C16H18.C14H14O.C14H16.C10H14.C9H10O2/c1-21-7-13-29(19-23(21)3)32-27-15-9-25(10-16-27)31(5,6)26-11-17-28(18-12-26)33-30-14-8-22(2)24(4)20-30;1-11-5-7-15(9-13(11)3)17(18(20,21)22,19(23,24)25)16-8-6-12(2)14(4)10-16;1-11-5-7-15(9-13(11)3)17(18)16-8-6-12(2)14(4)10-16;1-11-5-7-15(9-13(11)3)19(17,18)16-8-6-12(2)14(4)10-16;1-11-5-7-15(9-13(11)3)17-16-8-6-12(2)14(4)10-16;1-11-5-7-15(9-13(11)3)16-8-6-12(2)14(4)10-16;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-9-5-6-11(3)14-12(4)8-7-10(2)13(9)14;1-7-5-9(3)10(4)6-8(7)2;1-6-3-7(2)5-8(4-6)9(10)11/h7-20H,1-6H3;5-10H,1-4H3;5-10H,1-4H3;5-10H,1-4H3;5-10H,1-4H3;5-10H,1-4H3;3-10H,1-2H3;5-8H,1-4H3;5-6H,1-4H3;3-5H,1-2H3,(H,10,11)
InChIKeyUJOXIXRADULPLM-UHFFFAOYSA-N
MW2413.24 g/mol
LogP45.46
Rot. Bonds18

About bis(3,4-dimethylphenyl)methanone;3,5-dimethylbenzoic acid;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene

bis(3,4-dimethylphenyl)methanone;3,5-dimethylbenzoic acid;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene (PubChem CID 161110186) has the molecular formula C162H176F6O9S and a molecular weight of 2413.24 g/mol. Its IUPAC name is bis(3,4-dimethylphenyl)methanone;3,5-dimethylbenzoic acid;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene.

Molecular Properties

Compound Namebis(3,4-dimethylphenyl)methanone;3,5-dimethylbenzoic acid;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene
PubChem CID161110186
Molecular FormulaC162H176F6O9S
Molecular Weight2413.24 g/mol
Exact Mass2411.29
IUPAC Namebis(3,4-dimethylphenyl)methanone;3,5-dimethylbenzoic acid;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene
SMILESCc1cc(C)c(C)cc1C.Cc1cc(C)cc(C(=O)O)c1.Cc1ccc(-c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(=O)c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(c2ccc(C)c(C)c2)(C(F)(F)F)C(F)(F)F)cc1C.Cc1ccc(C)c2c(C)ccc(C)c12.Cc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(C)c(C)c4)cc3)cc2)cc1C.Cc1ccc(Oc2ccc(C)c(C)c2)cc1C.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C31H32O2.C19H18F6.C17H18O.C16H18O2S.C16H18O.C16H18.C14H14O.C14H16.C10H14.C9H10O2/c1-21-7-13-29(19-23(21)3)32-27-15-9-25(10-16-27)31(5,6)26-11-17-28(18-12-26)33-30-14-8-22(2)24(4)20-30;1-11-5-7-15(9-13(11)3)17(18(20,21)22,19(23,24)25)16-8-6-12(2)14(4)10-16;1-11-5-7-15(9-13(11)3)17(18)16-8-6-12(2)14(4)10-16;1-11-5-7-15(9-13(11)3)19(17,18)16-8-6-12(2)14(4)10-16;1-11-5-7-15(9-13(11)3)17-16-8-6-12(2)14(4)10-16;1-11-5-7-15(9-13(11)3)16-8-6-12(2)14(4)10-16;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-9-5-6-11(3)14-12(4)8-7-10(2)13(9)14;1-7-5-9(3)10(4)6-8(7)2;1-6-3-7(2)5-8(4-6)9(10)11/h7-20H,1-6H3;5-10H,1-4H3;5-10H,1-4H3;5-10H,1-4H3;5-10H,1-4H3;5-10H,1-4H3;3-10H,1-2H3;5-8H,1-4H3;5-6H,1-4H3;3-5H,1-2H3,(H,10,11)
InChIKeyUJOXIXRADULPLM-UHFFFAOYSA-N
XLogP45.46
TPSA125.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms178
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002413.24
LogP ≤ 545.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze bis(3,4-dimethylphenyl)methanone;3,5-dimethylbenzoic acid;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(3,4-dimethylphenyl)methanone;3,5-dimethylbenzoic acid;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene?
The IUPAC name of bis(3,4-dimethylphenyl)methanone;3,5-dimethylbenzoic acid;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene (CID 161110186) is bis(3,4-dimethylphenyl)methanone;3,5-dimethylbenzoic acid;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene.
What is the SMILES notation for bis(3,4-dimethylphenyl)methanone;3,5-dimethylbenzoic acid;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene?
The canonical SMILES for bis(3,4-dimethylphenyl)methanone;3,5-dimethylbenzoic acid;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene is Cc1cc(C)c(C)cc1C.Cc1cc(C)cc(C(=O)O)c1.Cc1ccc(-c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(=O)c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(c2ccc(C)c(C)c2)(C(F)(F)F)C(F)(F)F)cc1C.Cc1ccc(C)c2c(C)ccc(C)c12.Cc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(C)c(C)c4)cc3)cc2)cc1C.Cc1ccc(Oc2ccc(C)c(C)c2)cc1C.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)c(C)c2)cc1C.
What is the InChIKey of bis(3,4-dimethylphenyl)methanone;3,5-dimethylbenzoic acid;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene?
The InChIKey is UJOXIXRADULPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32O2.C19H18F6.C17H18O.C16H18O2S.C16H18O.C16H18.C14H14O.C14H16.C10H14.C9H10O2/c1-21-7-13-29(19-23(21)3)32-27-15-9-25(10-16-27)31(5,6)26-11-17-28(18-12-26)33-30-14-8-22(2)24(4)20-30;1-11-5-7-15(9-13(11)3)17(18(20,21)22,19(23,24)25)16-8-6-12(2)14(4)10-16;1-11-5-7-15(9-13(11)3)17(18)16-8-6-12(2)14(4)10-16;1-11-5-7-15(9-13(11)3)19(17,18)16-8-6-12(2)14(4)10-16;1-11-5-7-15(9-13(11)3)17-16-8-6-12(2)14(4)10-16;1-11-5-7-15(9-13(11)3)16-8-6-12(2)14(4)10-16;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-9-5-6-11(3)14-12(4)8-7-10(2)13(9)14;1-7-5-9(3)10(4)6-8(7)2;1-6-3-7(2)5-8(4-6)9(10)11/h7-20H,1-6H3;5-10H,1-4H3;5-10H,1-4H3;5-10H,1-4H3;5-10H,1-4H3;5-10H,1-4H3;3-10H,1-2H3;5-8H,1-4H3;5-6H,1-4H3;3-5H,1-2H3,(H,10,11).
What are the key properties of bis(3,4-dimethylphenyl)methanone;3,5-dimethylbenzoic acid;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene?
bis(3,4-dimethylphenyl)methanone;3,5-dimethylbenzoic acid;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene has a molecular weight of 2413.24 g/mol, XLogP of 45.46, 18 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,4-dimethylphenyl)methanone;3,5-dimethylbenzoic acid;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene is sourced from PubChem (CID 161110186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).