cumene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;methane;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2-methyl-4-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenol;1,4-xylene

C161H159F9O14S3 — CID 159019327

About cumene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;methane;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2-methyl-4-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenol;1,4-xylene

cumene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;methane;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2-methyl-4-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenol;1,4-xylene (PubChem CID 159019327) has the molecular formula C161H159F9O14S3 and a molecular weight of 2585.21 g/mol. Its IUPAC name is cumene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;methane;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2-methyl-4-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenol;1,4-xylene.

Molecular Properties

• Compound Name: cumene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;methane;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2-methyl-4-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenol;1,4-xylene
• PubChem CID: 159019327
• Molecular Formula: C161H159F9O14S3
• Molecular Weight: 2585.21 g/mol
• Exact Mass: 2583.07
• IUPAC Name: cumene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;methane;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2-methyl-4-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenol;1,4-xylene
• SMILES: C.CC(C)c1ccccc1.Cc1cc(C(C)(c2ccc(O)c(C)c2)C(F)(F)F)ccc1O.Cc1ccc(C(c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)cc1.Cc1ccc(C)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1.Cc1ccc(Oc2cccc(C)c2)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.Cc1cccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4cccc(C)c4)cc3)cc2)c1
• InChI: InChI=1S/2C26H22O4S.C17H14F6.C17H17F3O2.C15H16.C14H14O2S.2C14H14O.C9H12.C8H10.CH4/c1-19-3-7-21(8-4-19)29-23-11-15-25(16-12-23)31(27,28)26-17-13-24(14-18-26)30-22-9-5-20(2)6-10-22;1-19-5-3-7-23(17-19)29-21-9-13-25(14-10-21)31(27,28)26-15-11-22(12-16-26)30-24-8-4-6-20(2)18-24;1-11-3-7-13(8-4-11)15(16(18,19)20,17(21,22)23)14-9-5-12(2)6-10-14;1-10-8-12(4-6-14(10)21)16(3,17(18,19)20)13-5-7-15(22)11(2)9-13;1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-11-6-8-13(9-7-11)15-14-5-3-4-12(2)10-14;1-8(2)9-6-4-3-5-7-9;1-7-3-5-8(2)6-4-7;/h2*3-18H,1-2H3;3-10H,1-2H3;4-9,21-22H,1-3H3;3-10H,11H2,1-2H3;3-10H,1-2H3;2*3-10H,1-2H3;3-8H,1-2H3;3-6H,1-2H3;1H4
• InChIKey: JTMJIWOIJPLZHO-UHFFFAOYSA-N
• XLogP: 44.71
• TPSA: 198.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 25
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2585.21
LogP ≤ 5	44.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of cumene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;methane;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2-methyl-4-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenol;1,4-xylene?

The IUPAC name of cumene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;methane;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2-methyl-4-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenol;1,4-xylene (CID 159019327) is cumene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;methane;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2-methyl-4-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenol;1,4-xylene.

What is the SMILES notation for cumene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;methane;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2-methyl-4-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenol;1,4-xylene?

The canonical SMILES for cumene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;methane;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2-methyl-4-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenol;1,4-xylene is C.CC(C)c1ccccc1.Cc1cc(C(C)(c2ccc(O)c(C)c2)C(F)(F)F)ccc1O.Cc1ccc(C(c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)cc1.Cc1ccc(C)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1.Cc1ccc(Oc2cccc(C)c2)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.Cc1cccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4cccc(C)c4)cc3)cc2)c1.

What is the InChIKey of cumene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;methane;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2-methyl-4-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenol;1,4-xylene?

The InChIKey is JTMJIWOIJPLZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H22O4S.C17H14F6.C17H17F3O2.C15H16.C14H14O2S.2C14H14O.C9H12.C8H10.CH4/c1-19-3-7-21(8-4-19)29-23-11-15-25(16-12-23)31(27,28)26-17-13-24(14-18-26)30-22-9-5-20(2)6-10-22;1-19-5-3-7-23(17-19)29-21-9-13-25(14-10-21)31(27,28)26-15-11-22(12-16-26)30-24-8-4-6-20(2)18-24;1-11-3-7-13(8-4-11)15(16(18,19)20,17(21,22)23)14-9-5-12(2)6-10-14;1-10-8-12(4-6-14(10)21)16(3,17(18,19)20)13-5-7-15(22)11(2)9-13;1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-11-6-8-13(9-7-11)15-14-5-3-4-12(2)10-14;1-8(2)9-6-4-3-5-7-9;1-7-3-5-8(2)6-4-7;/h2*3-18H,1-2H3;3-10H,1-2H3;4-9,21-22H,1-3H3;3-10H,11H2,1-2H3;3-10H,1-2H3;2*3-10H,1-2H3;3-8H,1-2H3;3-6H,1-2H3;1H4.

What are the key properties of cumene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;methane;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2-methyl-4-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenol;1,4-xylene?

cumene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;methane;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2-methyl-4-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenol;1,4-xylene has a molecular weight of 2585.21 g/mol, XLogP of 44.71, 25 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for cumene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;methane;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2-methyl-4-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenol;1,4-xylene is sourced from PubChem (CID 159019327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).