4-(benzenesulfonyl)-1,2-dimethylbenzene;1,4-ditert-butyl-2-(3,4-dimethylphenoxy)-5-phenoxybenzene;2,3-dimethylnaphthalene;1,2-dimethyl-4-phenoxybenzene;2-[(3,4-dimethylphenoxy)methoxy]ethyl benzoate;1,2-dimethyl-4-(4-phenoxyphenoxy)benzene;1,2-dimethyl-4-[4-[2-(4-phenoxyphenyl)propan-2-yl]phenoxy]benzene;1,2-dimethyl-4-phenylbenzene;(3,4-dimethylphenyl)-phenylmethanone;1,2-dimethyl-4-(2-phenylpropan-2-yl)benzene;1,2-dimethyl-4-phenylsulfanylbenzene;ethane;4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-1,2-dimethylbenzene;1,2-xylene

C246H304F6O14S2 — CID 159231719

About 4-(benzenesulfonyl)-1,2-dimethylbenzene;1,4-ditert-butyl-2-(3,4-dimethylphenoxy)-5-phenoxybenzene;2,3-dimethylnaphthalene;1,2-dimethyl-4-phenoxybenzene;2-[(3,4-dimethylphenoxy)methoxy]ethyl benzoate;1,2-dimethyl-4-(4-phenoxyphenoxy)benzene;1,2-dimethyl-4-[4-[2-(4-phenoxyphenyl)propan-2-yl]phenoxy]benzene;1,2-dimethyl-4-phenylbenzene;(3,4-dimethylphenyl)-phenylmethanone;1,2-dimethyl-4-(2-phenylpropan-2-yl)benzene;1,2-dimethyl-4-phenylsulfanylbenzene;ethane;4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-1,2-dimethylbenzene;1,2-xylene

4-(benzenesulfonyl)-1,2-dimethylbenzene;1,4-ditert-butyl-2-(3,4-dimethylphenoxy)-5-phenoxybenzene;2,3-dimethylnaphthalene;1,2-dimethyl-4-phenoxybenzene;2-[(3,4-dimethylphenoxy)methoxy]ethyl benzoate;1,2-dimethyl-4-(4-phenoxyphenoxy)benzene;1,2-dimethyl-4-[4-[2-(4-phenoxyphenyl)propan-2-yl]phenoxy]benzene;1,2-dimethyl-4-phenylbenzene;(3,4-dimethylphenyl)-phenylmethanone;1,2-dimethyl-4-(2-phenylpropan-2-yl)benzene;1,2-dimethyl-4-phenylsulfanylbenzene;ethane;4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-1,2-dimethylbenzene;1,2-xylene (PubChem CID 159231719) has the molecular formula C246H304F6O14S2 and a molecular weight of 3663.25 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-1,2-dimethylbenzene;1,4-ditert-butyl-2-(3,4-dimethylphenoxy)-5-phenoxybenzene;2,3-dimethylnaphthalene;1,2-dimethyl-4-phenoxybenzene;2-[(3,4-dimethylphenoxy)methoxy]ethyl benzoate;1,2-dimethyl-4-(4-phenoxyphenoxy)benzene;1,2-dimethyl-4-[4-[2-(4-phenoxyphenyl)propan-2-yl]phenoxy]benzene;1,2-dimethyl-4-phenylbenzene;(3,4-dimethylphenyl)-phenylmethanone;1,2-dimethyl-4-(2-phenylpropan-2-yl)benzene;1,2-dimethyl-4-phenylsulfanylbenzene;ethane;4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-1,2-dimethylbenzene;1,2-xylene.

Molecular Properties

• Compound Name: 4-(benzenesulfonyl)-1,2-dimethylbenzene;1,4-ditert-butyl-2-(3,4-dimethylphenoxy)-5-phenoxybenzene;2,3-dimethylnaphthalene;1,2-dimethyl-4-phenoxybenzene;2-[(3,4-dimethylphenoxy)methoxy]ethyl benzoate;1,2-dimethyl-4-(4-phenoxyphenoxy)benzene;1,2-dimethyl-4-[4-[2-(4-phenoxyphenyl)propan-2-yl]phenoxy]benzene;1,2-dimethyl-4-phenylbenzene;(3,4-dimethylphenyl)-phenylmethanone;1,2-dimethyl-4-(2-phenylpropan-2-yl)benzene;1,2-dimethyl-4-phenylsulfanylbenzene;ethane;4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-1,2-dimethylbenzene;1,2-xylene
• PubChem CID: 159231719
• Molecular Formula: C246H304F6O14S2
• Molecular Weight: 3663.25 g/mol
• Exact Mass: 3660.24
• IUPAC Name: 4-(benzenesulfonyl)-1,2-dimethylbenzene;1,4-ditert-butyl-2-(3,4-dimethylphenoxy)-5-phenoxybenzene;2,3-dimethylnaphthalene;1,2-dimethyl-4-phenoxybenzene;2-[(3,4-dimethylphenoxy)methoxy]ethyl benzoate;1,2-dimethyl-4-(4-phenoxyphenoxy)benzene;1,2-dimethyl-4-[4-[2-(4-phenoxyphenyl)propan-2-yl]phenoxy]benzene;1,2-dimethyl-4-phenylbenzene;(3,4-dimethylphenyl)-phenylmethanone;1,2-dimethyl-4-(2-phenylpropan-2-yl)benzene;1,2-dimethyl-4-phenylsulfanylbenzene;ethane;4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-1,2-dimethylbenzene;1,2-xylene
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc2ccccc2cc1C.Cc1ccc(-c2ccccc2)cc1C.Cc1ccc(C(=O)c2ccccc2)cc1C.Cc1ccc(C(C)(C)c2ccccc2)cc1C.Cc1ccc(C(c2ccccc2)(C(F)(F)F)C(F)(F)F)cc1C.Cc1ccc(OCOCCOC(=O)c2ccccc2)cc1C.Cc1ccc(Oc2cc(C(C)(C)C)c(Oc3ccccc3)cc2C(C)(C)C)cc1C.Cc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccccc4)cc3)cc2)cc1C.Cc1ccc(Oc2ccc(Oc3ccccc3)cc2)cc1C.Cc1ccc(Oc2ccccc2)cc1C.Cc1ccc(S(=O)(=O)c2ccccc2)cc1C.Cc1ccc(Sc2ccccc2)cc1C.Cc1ccccc1C
• InChI: InChI=1S/C29H28O2.C28H34O2.C20H18O2.C18H20O4.C17H14F6.C17H20.C15H14O.C14H14O2S.C14H14O.C14H14S.C14H14.C12H12.C8H10.13C2H6/c1-21-10-15-28(20-22(21)2)31-27-18-13-24(14-19-27)29(3,4)23-11-16-26(17-12-23)30-25-8-6-5-7-9-25;1-19-14-15-22(16-20(19)2)30-26-18-23(27(3,4)5)25(17-24(26)28(6,7)8)29-21-12-10-9-11-13-21;1-15-8-9-20(14-16(15)2)22-19-12-10-18(11-13-19)21-17-6-4-3-5-7-17;1-14-8-9-17(12-15(14)2)22-13-20-10-11-21-18(19)16-6-4-3-5-7-16;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;1-13-10-11-16(12-14(13)2)17(3,4)15-8-6-5-7-9-15;1-11-8-9-14(10-12(11)2)15(16)13-6-4-3-5-7-13;1-11-8-9-14(10-12(11)2)17(15,16)13-6-4-3-5-7-13;2*1-11-8-9-14(10-12(11)2)15-13-6-4-3-5-7-13;1-11-8-9-14(10-12(11)2)13-6-4-3-5-7-13;1-9-7-11-5-3-4-6-12(11)8-10(9)2;1-7-5-3-4-6-8(7)2;13*1-2/h5-20H,1-4H3;9-18H,1-8H3;3-14H,1-2H3;3-9,12H,10-11,13H2,1-2H3;3-10H,1-2H3;5-12H,1-4H3;3-10H,1-2H3;3-10H,1-2H3;2*3-10H,1-2H3;3-10H,1-2H3;3-8H,1-2H3;3-6H,1-2H3;13*1-2H3
• InChIKey: KSZJRJUKHZMMGR-UHFFFAOYSA-N
• XLogP: 74.73
• TPSA: 160.58 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 34
• Heavy Atoms: 268
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3663.25
LogP ≤ 5	74.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-1,2-dimethylbenzene;1,4-ditert-butyl-2-(3,4-dimethylphenoxy)-5-phenoxybenzene;2,3-dimethylnaphthalene;1,2-dimethyl-4-phenoxybenzene;2-[(3,4-dimethylphenoxy)methoxy]ethyl benzoate;1,2-dimethyl-4-(4-phenoxyphenoxy)benzene;1,2-dimethyl-4-[4-[2-(4-phenoxyphenyl)propan-2-yl]phenoxy]benzene;1,2-dimethyl-4-phenylbenzene;(3,4-dimethylphenyl)-phenylmethanone;1,2-dimethyl-4-(2-phenylpropan-2-yl)benzene;1,2-dimethyl-4-phenylsulfanylbenzene;ethane;4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-1,2-dimethylbenzene;1,2-xylene?

The IUPAC name of 4-(benzenesulfonyl)-1,2-dimethylbenzene;1,4-ditert-butyl-2-(3,4-dimethylphenoxy)-5-phenoxybenzene;2,3-dimethylnaphthalene;1,2-dimethyl-4-phenoxybenzene;2-[(3,4-dimethylphenoxy)methoxy]ethyl benzoate;1,2-dimethyl-4-(4-phenoxyphenoxy)benzene;1,2-dimethyl-4-[4-[2-(4-phenoxyphenyl)propan-2-yl]phenoxy]benzene;1,2-dimethyl-4-phenylbenzene;(3,4-dimethylphenyl)-phenylmethanone;1,2-dimethyl-4-(2-phenylpropan-2-yl)benzene;1,2-dimethyl-4-phenylsulfanylbenzene;ethane;4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-1,2-dimethylbenzene;1,2-xylene (CID 159231719) is 4-(benzenesulfonyl)-1,2-dimethylbenzene;1,4-ditert-butyl-2-(3,4-dimethylphenoxy)-5-phenoxybenzene;2,3-dimethylnaphthalene;1,2-dimethyl-4-phenoxybenzene;2-[(3,4-dimethylphenoxy)methoxy]ethyl benzoate;1,2-dimethyl-4-(4-phenoxyphenoxy)benzene;1,2-dimethyl-4-[4-[2-(4-phenoxyphenyl)propan-2-yl]phenoxy]benzene;1,2-dimethyl-4-phenylbenzene;(3,4-dimethylphenyl)-phenylmethanone;1,2-dimethyl-4-(2-phenylpropan-2-yl)benzene;1,2-dimethyl-4-phenylsulfanylbenzene;ethane;4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-1,2-dimethylbenzene;1,2-xylene.

What is the SMILES notation for 4-(benzenesulfonyl)-1,2-dimethylbenzene;1,4-ditert-butyl-2-(3,4-dimethylphenoxy)-5-phenoxybenzene;2,3-dimethylnaphthalene;1,2-dimethyl-4-phenoxybenzene;2-[(3,4-dimethylphenoxy)methoxy]ethyl benzoate;1,2-dimethyl-4-(4-phenoxyphenoxy)benzene;1,2-dimethyl-4-[4-[2-(4-phenoxyphenyl)propan-2-yl]phenoxy]benzene;1,2-dimethyl-4-phenylbenzene;(3,4-dimethylphenyl)-phenylmethanone;1,2-dimethyl-4-(2-phenylpropan-2-yl)benzene;1,2-dimethyl-4-phenylsulfanylbenzene;ethane;4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-1,2-dimethylbenzene;1,2-xylene?

The canonical SMILES for 4-(benzenesulfonyl)-1,2-dimethylbenzene;1,4-ditert-butyl-2-(3,4-dimethylphenoxy)-5-phenoxybenzene;2,3-dimethylnaphthalene;1,2-dimethyl-4-phenoxybenzene;2-[(3,4-dimethylphenoxy)methoxy]ethyl benzoate;1,2-dimethyl-4-(4-phenoxyphenoxy)benzene;1,2-dimethyl-4-[4-[2-(4-phenoxyphenyl)propan-2-yl]phenoxy]benzene;1,2-dimethyl-4-phenylbenzene;(3,4-dimethylphenyl)-phenylmethanone;1,2-dimethyl-4-(2-phenylpropan-2-yl)benzene;1,2-dimethyl-4-phenylsulfanylbenzene;ethane;4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-1,2-dimethylbenzene;1,2-xylene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc2ccccc2cc1C.Cc1ccc(-c2ccccc2)cc1C.Cc1ccc(C(=O)c2ccccc2)cc1C.Cc1ccc(C(C)(C)c2ccccc2)cc1C.Cc1ccc(C(c2ccccc2)(C(F)(F)F)C(F)(F)F)cc1C.Cc1ccc(OCOCCOC(=O)c2ccccc2)cc1C.Cc1ccc(Oc2cc(C(C)(C)C)c(Oc3ccccc3)cc2C(C)(C)C)cc1C.Cc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccccc4)cc3)cc2)cc1C.Cc1ccc(Oc2ccc(Oc3ccccc3)cc2)cc1C.Cc1ccc(Oc2ccccc2)cc1C.Cc1ccc(S(=O)(=O)c2ccccc2)cc1C.Cc1ccc(Sc2ccccc2)cc1C.Cc1ccccc1C.

What is the InChIKey of 4-(benzenesulfonyl)-1,2-dimethylbenzene;1,4-ditert-butyl-2-(3,4-dimethylphenoxy)-5-phenoxybenzene;2,3-dimethylnaphthalene;1,2-dimethyl-4-phenoxybenzene;2-[(3,4-dimethylphenoxy)methoxy]ethyl benzoate;1,2-dimethyl-4-(4-phenoxyphenoxy)benzene;1,2-dimethyl-4-[4-[2-(4-phenoxyphenyl)propan-2-yl]phenoxy]benzene;1,2-dimethyl-4-phenylbenzene;(3,4-dimethylphenyl)-phenylmethanone;1,2-dimethyl-4-(2-phenylpropan-2-yl)benzene;1,2-dimethyl-4-phenylsulfanylbenzene;ethane;4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-1,2-dimethylbenzene;1,2-xylene?

The InChIKey is KSZJRJUKHZMMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28O2.C28H34O2.C20H18O2.C18H20O4.C17H14F6.C17H20.C15H14O.C14H14O2S.C14H14O.C14H14S.C14H14.C12H12.C8H10.13C2H6/c1-21-10-15-28(20-22(21)2)31-27-18-13-24(14-19-27)29(3,4)23-11-16-26(17-12-23)30-25-8-6-5-7-9-25;1-19-14-15-22(16-20(19)2)30-26-18-23(27(3,4)5)25(17-24(26)28(6,7)8)29-21-12-10-9-11-13-21;1-15-8-9-20(14-16(15)2)22-19-12-10-18(11-13-19)21-17-6-4-3-5-7-17;1-14-8-9-17(12-15(14)2)22-13-20-10-11-21-18(19)16-6-4-3-5-7-16;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;1-13-10-11-16(12-14(13)2)17(3,4)15-8-6-5-7-9-15;1-11-8-9-14(10-12(11)2)15(16)13-6-4-3-5-7-13;1-11-8-9-14(10-12(11)2)17(15,16)13-6-4-3-5-7-13;2*1-11-8-9-14(10-12(11)2)15-13-6-4-3-5-7-13;1-11-8-9-14(10-12(11)2)13-6-4-3-5-7-13;1-9-7-11-5-3-4-6-12(11)8-10(9)2;1-7-5-3-4-6-8(7)2;13*1-2/h5-20H,1-4H3;9-18H,1-8H3;3-14H,1-2H3;3-9,12H,10-11,13H2,1-2H3;3-10H,1-2H3;5-12H,1-4H3;3-10H,1-2H3;3-10H,1-2H3;2*3-10H,1-2H3;3-10H,1-2H3;3-8H,1-2H3;3-6H,1-2H3;13*1-2H3.

What are the key properties of 4-(benzenesulfonyl)-1,2-dimethylbenzene;1,4-ditert-butyl-2-(3,4-dimethylphenoxy)-5-phenoxybenzene;2,3-dimethylnaphthalene;1,2-dimethyl-4-phenoxybenzene;2-[(3,4-dimethylphenoxy)methoxy]ethyl benzoate;1,2-dimethyl-4-(4-phenoxyphenoxy)benzene;1,2-dimethyl-4-[4-[2-(4-phenoxyphenyl)propan-2-yl]phenoxy]benzene;1,2-dimethyl-4-phenylbenzene;(3,4-dimethylphenyl)-phenylmethanone;1,2-dimethyl-4-(2-phenylpropan-2-yl)benzene;1,2-dimethyl-4-phenylsulfanylbenzene;ethane;4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-1,2-dimethylbenzene;1,2-xylene?

4-(benzenesulfonyl)-1,2-dimethylbenzene;1,4-ditert-butyl-2-(3,4-dimethylphenoxy)-5-phenoxybenzene;2,3-dimethylnaphthalene;1,2-dimethyl-4-phenoxybenzene;2-[(3,4-dimethylphenoxy)methoxy]ethyl benzoate;1,2-dimethyl-4-(4-phenoxyphenoxy)benzene;1,2-dimethyl-4-[4-[2-(4-phenoxyphenyl)propan-2-yl]phenoxy]benzene;1,2-dimethyl-4-phenylbenzene;(3,4-dimethylphenyl)-phenylmethanone;1,2-dimethyl-4-(2-phenylpropan-2-yl)benzene;1,2-dimethyl-4-phenylsulfanylbenzene;ethane;4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-1,2-dimethylbenzene;1,2-xylene has a molecular weight of 3663.25 g/mol, XLogP of 74.73, 34 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(benzenesulfonyl)-1,2-dimethylbenzene;1,4-ditert-butyl-2-(3,4-dimethylphenoxy)-5-phenoxybenzene;2,3-dimethylnaphthalene;1,2-dimethyl-4-phenoxybenzene;2-[(3,4-dimethylphenoxy)methoxy]ethyl benzoate;1,2-dimethyl-4-(4-phenoxyphenoxy)benzene;1,2-dimethyl-4-[4-[2-(4-phenoxyphenyl)propan-2-yl]phenoxy]benzene;1,2-dimethyl-4-phenylbenzene;(3,4-dimethylphenyl)-phenylmethanone;1,2-dimethyl-4-(2-phenylpropan-2-yl)benzene;1,2-dimethyl-4-phenylsulfanylbenzene;ethane;4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-1,2-dimethylbenzene;1,2-xylene is sourced from PubChem (CID 159231719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).