1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;1,4-bis(3-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;bis(3-methylphenyl)methanol;bis(4-methylphenyl)methanol;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfinylbenzene;1-methyl-4-(2-phenylpropan-2-yl)benzene

C191H194F2O11S — CID 158374968

IUPAC1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;1,4-bis(3-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;bis(3-methylphenyl)methanol;bis(4-methylphenyl)methanol;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfinylbenzene;1-methyl-4-(2-phenylpropan-2-yl)benzene
SMILESCc1ccc(C(C)(C)c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1.Cc1ccc(C(C)(C)c2ccccc2)cc1.Cc1ccc(C(F)(F)c2ccc(C)cc2)cc1.Cc1ccc(C(O)c2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(Oc3ccc(C)cc3)cc2)cc1.Cc1ccc(Oc2cccc(Oc3ccc(C)cc3)c2)cc1.Cc1cccc(C(O)c2cccc(C)c2)c1.Cc1cccc(Oc2ccc(Oc3cccc(C)c3)cc2)c1.Cc1cccc(Oc2cccc(Oc3cccc(C)c3)c2)c1.Cc1cccc(S(=O)c2cccc(C)c2)c1
InChIInChI=1S/4C20H18O2.C19H24.C17H20.C16H18.C15H14F2.2C15H16O.C14H14OS/c1-15-3-7-17(8-4-15)21-19-11-13-20(14-12-19)22-18-9-5-16(2)6-10-18;1-15-6-3-8-17(12-15)21-19-10-5-11-20(14-19)22-18-9-4-7-16(2)13-18;1-15-5-3-7-19(13-15)21-17-9-11-18(12-10-17)22-20-8-4-6-16(2)14-20;1-15-6-10-17(11-7-15)21-19-4-3-5-20(14-19)22-18-12-8-16(2)9-13-18;1-13-7-9-17(11-15(13)3)19(5,6)18-10-8-14(2)16(4)12-18;1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-13-9-11-15(12-10-13)16(2,3)14-7-5-4-6-8-14;1-11-3-7-13(8-4-11)15(16,17)14-9-5-12(2)6-10-14;1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14;1-11-5-3-7-13(9-11)15(16)14-8-4-6-12(2)10-14;1-11-5-3-7-13(9-11)16(15)14-8-4-6-12(2)10-14/h4*3-14H,1-2H3;7-12H,1-6H3;5-12H,1-4H3;4-12H,1-3H3;3-10H,1-2H3;2*3-10,15-16H,1-2H3;3-10H,1-2H3
InChIKeyGVBPLEXYADOLIW-UHFFFAOYSA-N
MW2735.70 g/mol
LogP52.43
Rot. Bonds30

About 1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;1,4-bis(3-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;bis(3-methylphenyl)methanol;bis(4-methylphenyl)methanol;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfinylbenzene;1-methyl-4-(2-phenylpropan-2-yl)benzene

1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;1,4-bis(3-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;bis(3-methylphenyl)methanol;bis(4-methylphenyl)methanol;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfinylbenzene;1-methyl-4-(2-phenylpropan-2-yl)benzene (PubChem CID 158374968) has the molecular formula C191H194F2O11S and a molecular weight of 2735.70 g/mol. Its IUPAC name is 1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;1,4-bis(3-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;bis(3-methylphenyl)methanol;bis(4-methylphenyl)methanol;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfinylbenzene;1-methyl-4-(2-phenylpropan-2-yl)benzene.

Molecular Properties

Compound Name1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;1,4-bis(3-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;bis(3-methylphenyl)methanol;bis(4-methylphenyl)methanol;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfinylbenzene;1-methyl-4-(2-phenylpropan-2-yl)benzene
PubChem CID158374968
Molecular FormulaC191H194F2O11S
Molecular Weight2735.70 g/mol
Exact Mass2733.43
IUPAC Name1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;1,4-bis(3-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;bis(3-methylphenyl)methanol;bis(4-methylphenyl)methanol;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfinylbenzene;1-methyl-4-(2-phenylpropan-2-yl)benzene
SMILESCc1ccc(C(C)(C)c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1.Cc1ccc(C(C)(C)c2ccccc2)cc1.Cc1ccc(C(F)(F)c2ccc(C)cc2)cc1.Cc1ccc(C(O)c2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(Oc3ccc(C)cc3)cc2)cc1.Cc1ccc(Oc2cccc(Oc3ccc(C)cc3)c2)cc1.Cc1cccc(C(O)c2cccc(C)c2)c1.Cc1cccc(Oc2ccc(Oc3cccc(C)c3)cc2)c1.Cc1cccc(Oc2cccc(Oc3cccc(C)c3)c2)c1.Cc1cccc(S(=O)c2cccc(C)c2)c1
InChIInChI=1S/4C20H18O2.C19H24.C17H20.C16H18.C15H14F2.2C15H16O.C14H14OS/c1-15-3-7-17(8-4-15)21-19-11-13-20(14-12-19)22-18-9-5-16(2)6-10-18;1-15-6-3-8-17(12-15)21-19-10-5-11-20(14-19)22-18-9-4-7-16(2)13-18;1-15-5-3-7-19(13-15)21-17-9-11-18(12-10-17)22-20-8-4-6-16(2)14-20;1-15-6-10-17(11-7-15)21-19-4-3-5-20(14-19)22-18-12-8-16(2)9-13-18;1-13-7-9-17(11-15(13)3)19(5,6)18-10-8-14(2)16(4)12-18;1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-13-9-11-15(12-10-13)16(2,3)14-7-5-4-6-8-14;1-11-3-7-13(8-4-11)15(16,17)14-9-5-12(2)6-10-14;1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14;1-11-5-3-7-13(9-11)15(16)14-8-4-6-12(2)10-14;1-11-5-3-7-13(9-11)16(15)14-8-4-6-12(2)10-14/h4*3-14H,1-2H3;7-12H,1-6H3;5-12H,1-4H3;4-12H,1-3H3;3-10H,1-2H3;2*3-10,15-16H,1-2H3;3-10H,1-2H3
InChIKeyGVBPLEXYADOLIW-UHFFFAOYSA-N
XLogP52.43
TPSA131.37 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds30
Heavy Atoms205
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002735.70
LogP ≤ 552.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;1,4-bis(3-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;bis(3-methylphenyl)methanol;bis(4-methylphenyl)methanol;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfinylbenzene;1-methyl-4-(2-phenylpropan-2-yl)benzene with MolForge

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Related Compounds

3-[[3-Hydroxy-5-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)phenyl]methyl]-5-methylphenol;3-[(3-hydroxyphenyl)methyl]phenol;2-(2-hydroxyphenyl)phenol;2-[2-(2-hydroxyphenyl)propan-2-yl]phenol;4-(4-hydroxyphenyl)sulfanylphenol;4-(4-hydroxyphenyl)sulfonylphenol;[3-[(3-hydroxy-5-propoxyphenyl)methyl]-5-(2-methoxyethyl)phenyl] formate;perylene-1,12-diol;2-phenylphenol
CID 157248890
4-(4-Hydroxyphenoxy)-2-(2-hydroxypropan-2-yl)phenol;4-(4-hydroxyphenyl)sulfanyl-2-(2-hydroxypropan-2-yl)phenol;2-(2-hydroxypropan-2-yl)-4-[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenoxy]phenol;2-(2-hydroxypropan-2-yl)-4-[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfanylphenol;4-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol
CID 157293907
1,2-Diethoxy-4-methylbenzene;1,3-diethoxy-5-methylbenzene;1,2-dimethyl-4-propan-2-ylsulfonylbenzene;2,4-dimethyl-1-propan-2-ylsulfonylbenzene;2,4-dimethyl-1-[2-(trifluoromethoxy)ethoxy]benzene;1-(2-methoxyethoxy)-2,4-dimethylbenzene;2-methoxy-1-(2-methoxyethoxy)-4-methylbenzene;2-(2-methoxy-4-methylphenyl)propan-2-ol;2-methoxy-1-methyl-4-propan-2-yloxybenzene;2-methoxy-4-methyl-1-propan-2-yloxybenzene;4-methoxy-1-methyl-2-propan-2-yloxybenzene;2-methoxy-4-methyl-1-propoxybenzene;(5-methyl-2-propan-2-yloxyphenyl)methanol
CID 157364961
2-Tert-butyl-5-methylphenol;1,3-diethoxy-5-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2,4-dimethyl-1-propan-2-yloxybenzene;2,4-dimethyl-1-propoxybenzene;2-(2-fluoro-4-methylphenyl)-2-methylpropan-1-ol;1-(2-methoxyethoxy)-2,4-dimethylbenzene;2-(2-methoxy-4-methylphenyl)propan-1-ol;2-(2-methoxy-4-methylphenyl)propan-2-ol;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-methoxy-4-methyl-1-propoxybenzene;4-methyl-2-methylsulfonyl-1-propan-2-yloxybenzene;4-methyl-1-propan-2-yloxy-2-(trifluoromethyl)benzene;4-methyl-1-propoxy-2-(trifluoromethyl)benzene
CID 157502959
1,3-Diethoxy-5-methylbenzene;2-(2-fluoro-4-methylphenyl)-2-methylpropan-1-ol;1-(2-methoxyethoxy)-2,4-dimethylbenzene;1-(2-methoxyethoxy)-4-methyl-2-(trifluoromethyl)benzene;2-methoxy-1-(2-methoxyethoxy)-4-methylbenzene;2-(2-methoxy-4-methylphenyl)propan-1-ol;2-(2-methoxy-4-methylphenyl)propan-2-ol;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-methoxy-4-methyl-1-propoxybenzene;4-methyl-2-methylsulfonyl-1-propan-2-yloxybenzene;4-methyl-2-methylsulfonyl-1-propoxybenzene;4-methyl-1-propan-2-yloxy-2-(trifluoromethyl)benzene;4-methyl-1-propoxy-2-(trifluoromethyl)benzene;3-[4-methyl-2-(trifluoromethyl)phenoxy]oxetane
CID 157591594
4-[2-[4-[1,1-Bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;2,6-bis(hydroxymethyl)-4-methylphenol;2,6-bis(hydroxymethyl)-4-[1,1,1-trifluoro-2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]phenol;4-[4-hydroxy-3,5-bis(hydroxymethyl)phenoxy]-2,6-bis(hydroxymethyl)phenol;4-[[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-2,6-bis(hydroxymethyl)phenol;4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol;4-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]sulfanyl-2,6-bis(hydroxymethyl)phenol;2-[[2-hydroxy-3-(hydroxymethyl)-5-methylphenyl]methyl]-6-(hydroxymethyl)-4-methylphenol
CID 157750835
1,3-Bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;2,6-dimethylnaphthalene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene;1,3-xylene;1,4-xylene
CID 157834397
1,3-Bis(3-methylphenoxy)benzene;1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;methane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[4-[[4-(4-methylphenoxy)phenyl]methyl]phenoxy]benzene;tris(1-methyl-4-[(4-methylphenyl)methyl]benzene);1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene;1,4-xylene
CID 157932028
1,3-Bis(3-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;2-methoxy-4-(3-methoxy-4-methylphenyl)-1-methylbenzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene
CID 157949765
Adamantane;1-(1-adamantyl)adamantane;1-(3,5-dimethyl-1-adamantyl)-3,5-dimethyladamantane;1,3-diphenoxybenzene;1,4-diphenoxybenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-[2-(4-phenoxyphenyl)propan-2-yl]benzene;1-phenoxy-4-(4-phenoxyphenyl)sulfonylbenzene
CID 158208145
1,3-Bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene;1,3-xylene;1,4-xylene
CID 158252511
1,3-Bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;1,4-ditert-butyl-2,5-bis(4-methylphenoxy)benzene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene
CID 158353428

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;1,4-bis(3-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;bis(3-methylphenyl)methanol;bis(4-methylphenyl)methanol;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfinylbenzene;1-methyl-4-(2-phenylpropan-2-yl)benzene?
The IUPAC name of 1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;1,4-bis(3-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;bis(3-methylphenyl)methanol;bis(4-methylphenyl)methanol;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfinylbenzene;1-methyl-4-(2-phenylpropan-2-yl)benzene (CID 158374968) is 1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;1,4-bis(3-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;bis(3-methylphenyl)methanol;bis(4-methylphenyl)methanol;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfinylbenzene;1-methyl-4-(2-phenylpropan-2-yl)benzene.
What is the SMILES notation for 1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;1,4-bis(3-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;bis(3-methylphenyl)methanol;bis(4-methylphenyl)methanol;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfinylbenzene;1-methyl-4-(2-phenylpropan-2-yl)benzene?
The canonical SMILES for 1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;1,4-bis(3-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;bis(3-methylphenyl)methanol;bis(4-methylphenyl)methanol;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfinylbenzene;1-methyl-4-(2-phenylpropan-2-yl)benzene is Cc1ccc(C(C)(C)c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1.Cc1ccc(C(C)(C)c2ccccc2)cc1.Cc1ccc(C(F)(F)c2ccc(C)cc2)cc1.Cc1ccc(C(O)c2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(Oc3ccc(C)cc3)cc2)cc1.Cc1ccc(Oc2cccc(Oc3ccc(C)cc3)c2)cc1.Cc1cccc(C(O)c2cccc(C)c2)c1.Cc1cccc(Oc2ccc(Oc3cccc(C)c3)cc2)c1.Cc1cccc(Oc2cccc(Oc3cccc(C)c3)c2)c1.Cc1cccc(S(=O)c2cccc(C)c2)c1.
What is the InChIKey of 1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;1,4-bis(3-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;bis(3-methylphenyl)methanol;bis(4-methylphenyl)methanol;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfinylbenzene;1-methyl-4-(2-phenylpropan-2-yl)benzene?
The InChIKey is GVBPLEXYADOLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/4C20H18O2.C19H24.C17H20.C16H18.C15H14F2.2C15H16O.C14H14OS/c1-15-3-7-17(8-4-15)21-19-11-13-20(14-12-19)22-18-9-5-16(2)6-10-18;1-15-6-3-8-17(12-15)21-19-10-5-11-20(14-19)22-18-9-4-7-16(2)13-18;1-15-5-3-7-19(13-15)21-17-9-11-18(12-10-17)22-20-8-4-6-16(2)14-20;1-15-6-10-17(11-7-15)21-19-4-3-5-20(14-19)22-18-12-8-16(2)9-13-18;1-13-7-9-17(11-15(13)3)19(5,6)18-10-8-14(2)16(4)12-18;1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-13-9-11-15(12-10-13)16(2,3)14-7-5-4-6-8-14;1-11-3-7-13(8-4-11)15(16,17)14-9-5-12(2)6-10-14;1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14;1-11-5-3-7-13(9-11)15(16)14-8-4-6-12(2)10-14;1-11-5-3-7-13(9-11)16(15)14-8-4-6-12(2)10-14/h4*3-14H,1-2H3;7-12H,1-6H3;5-12H,1-4H3;4-12H,1-3H3;3-10H,1-2H3;2*3-10,15-16H,1-2H3;3-10H,1-2H3.
What are the key properties of 1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;1,4-bis(3-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;bis(3-methylphenyl)methanol;bis(4-methylphenyl)methanol;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfinylbenzene;1-methyl-4-(2-phenylpropan-2-yl)benzene?
1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;1,4-bis(3-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;bis(3-methylphenyl)methanol;bis(4-methylphenyl)methanol;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfinylbenzene;1-methyl-4-(2-phenylpropan-2-yl)benzene has a molecular weight of 2735.70 g/mol, XLogP of 52.43, 30 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;1,4-bis(3-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;bis(3-methylphenyl)methanol;bis(4-methylphenyl)methanol;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfinylbenzene;1-methyl-4-(2-phenylpropan-2-yl)benzene is sourced from PubChem (CID 158374968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).