bis(3,4-dimethylphenyl)methanone;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;methane;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene

C140H156F6O6S — CID 159979773

IUPACbis(3,4-dimethylphenyl)methanone;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;methane;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene
SMILESC.Cc1cc(C)c(C)cc1C.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(S(=O)(=O)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C31H32O2.C19H18F6.C17H18O.C16H18O2S.C16H18O.C16H18.C14H16.C10H14.CH4/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;1-9-5-6-11(3)14-12(4)8-7-10(2)13(9)14;1-7-5-9(3)10(4)6-8(7)2;/h7-20H,1-6H3;5-10H,1-4H3;5-10H,1-4H3;5-10H,1-4H3;5-10H,1-4H3;5-10H,1-4H3;5-8H,1-4H3;5-6H,1-4H3;1H4
InChIKeyOFPKGIDPELAVHA-UHFFFAOYSA-N
MW2080.84 g/mol
LogP40.00
Rot. Bonds15

About bis(3,4-dimethylphenyl)methanone;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;methane;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene

bis(3,4-dimethylphenyl)methanone;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;methane;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene (PubChem CID 159979773) has the molecular formula C140H156F6O6S and a molecular weight of 2080.84 g/mol. Its IUPAC name is bis(3,4-dimethylphenyl)methanone;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;methane;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene.

Molecular Properties

Compound Namebis(3,4-dimethylphenyl)methanone;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;methane;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene
PubChem CID159979773
Molecular FormulaC140H156F6O6S
Molecular Weight2080.84 g/mol
Exact Mass2079.15
IUPAC Namebis(3,4-dimethylphenyl)methanone;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;methane;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene
SMILESC.Cc1cc(C)c(C)cc1C.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(S(=O)(=O)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C31H32O2.C19H18F6.C17H18O.C16H18O2S.C16H18O.C16H18.C14H16.C10H14.CH4/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;1-9-5-6-11(3)14-12(4)8-7-10(2)13(9)14;1-7-5-9(3)10(4)6-8(7)2;/h7-20H,1-6H3;5-10H,1-4H3;5-10H,1-4H3;5-10H,1-4H3;5-10H,1-4H3;5-10H,1-4H3;5-8H,1-4H3;5-6H,1-4H3;1H4
InChIKeyOFPKGIDPELAVHA-UHFFFAOYSA-N
XLogP40.00
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms153
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002080.84
LogP ≤ 540.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze bis(3,4-dimethylphenyl)methanone;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;methane;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene with MolForge

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Related Compounds

7-[(2,6-Dimethylphenyl)methoxy]-4-(4-methylsulfonylphenyl)naphthalene-2-carboxylic acid
CID 42630803
2,6-Ditert-butyl-4-[4-(trifluoromethyl)phenyl]pyrylium;naphthalene-2-sulfonate
CID 10370173
5,5-Difluoro-5-(phenylsulfonyl)pentyl 6-(3-((3r,5r,7r)-adamantan-1-yl)-4-methoxyphenyl)-2-naphthoate
CID 163297716
Methyl 7-phenylmethoxy-4-(trifluoromethylsulfonyl)naphthalene-2-carboxylate
CID 19027153
trifluoromethyl (8S,9S,13S,14S,17S)-13-methyl-17-(4-phenoxybenzoyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3-sulfonate
CID 22871647
1-[1,1,1,3,3,3-Hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene
CID 53787001
[2,6-Difluoro-4-[4-[5-(4-hexylphenyl)sulfanyl-9,10-dioxoanthracen-1-yl]sulfanylphenyl]phenyl] butanoate
CID 57654725
[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 57737974
2,2-Dimethylpropyl 5-[[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]methyl]-2-methylbenzenesulfonate
CID 58159358
[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-[4-[4-methyl-3-[3-(trioxidanylsulfanyl)phenyl]sulfonylphenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 58658211
[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-[4-[3-[1,1,1,3,3,3-hexafluoro-2-[3-(trioxidanylsulfanyl)phenyl]propan-2-yl]-4-methylphenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 58658216
[4-(4-Methylphenyl)phenyl]-[4-[4-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonylphenoxy]phenyl]methanone
CID 58690157

Frequently Asked Questions

What is the IUPAC name of bis(3,4-dimethylphenyl)methanone;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;methane;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene?
The IUPAC name of bis(3,4-dimethylphenyl)methanone;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;methane;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene (CID 159979773) is bis(3,4-dimethylphenyl)methanone;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;methane;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene.
What is the SMILES notation for bis(3,4-dimethylphenyl)methanone;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;methane;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene?
The canonical SMILES for bis(3,4-dimethylphenyl)methanone;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;methane;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene is C.Cc1cc(C)c(C)cc1C.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(S(=O)(=O)c2ccc(C)c(C)c2)cc1C.
What is the InChIKey of bis(3,4-dimethylphenyl)methanone;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;methane;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene?
The InChIKey is OFPKGIDPELAVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32O2.C19H18F6.C17H18O.C16H18O2S.C16H18O.C16H18.C14H16.C10H14.CH4/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;1-9-5-6-11(3)14-12(4)8-7-10(2)13(9)14;1-7-5-9(3)10(4)6-8(7)2;/h7-20H,1-6H3;5-10H,1-4H3;5-10H,1-4H3;5-10H,1-4H3;5-10H,1-4H3;5-10H,1-4H3;5-8H,1-4H3;5-6H,1-4H3;1H4.
What are the key properties of bis(3,4-dimethylphenyl)methanone;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;methane;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene?
bis(3,4-dimethylphenyl)methanone;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;methane;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene has a molecular weight of 2080.84 g/mol, XLogP of 40.00, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,4-dimethylphenyl)methanone;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;methane;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene is sourced from PubChem (CID 159979773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).