[4-[4-(3,4-dimethylbenzoyl)oxybenzoyl]phenyl] 3,4-dimethylbenzoate;2-(3,4-dimethylbenzoyl)oxyethyl 3,4-dimethylbenzoate;[4-[4-(3,4-dimethylbenzoyl)oxyphenoxy]phenyl] 3,4-dimethylbenzoate;[4-(3,4-dimethylbenzoyl)oxyphenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]propan-2-yl]phenyl] 3,4-dimethylbenzoate;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene

C203H190F6O29S — CID 157304472

About [4-[4-(3,4-dimethylbenzoyl)oxybenzoyl]phenyl] 3,4-dimethylbenzoate;2-(3,4-dimethylbenzoyl)oxyethyl 3,4-dimethylbenzoate;[4-[4-(3,4-dimethylbenzoyl)oxyphenoxy]phenyl] 3,4-dimethylbenzoate;[4-(3,4-dimethylbenzoyl)oxyphenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]propan-2-yl]phenyl] 3,4-dimethylbenzoate;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene

[4-[4-(3,4-dimethylbenzoyl)oxybenzoyl]phenyl] 3,4-dimethylbenzoate;2-(3,4-dimethylbenzoyl)oxyethyl 3,4-dimethylbenzoate;[4-[4-(3,4-dimethylbenzoyl)oxyphenoxy]phenyl] 3,4-dimethylbenzoate;[4-(3,4-dimethylbenzoyl)oxyphenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]propan-2-yl]phenyl] 3,4-dimethylbenzoate;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene (PubChem CID 157304472) has the molecular formula C203H190F6O29S and a molecular weight of 3239.78 g/mol. Its IUPAC name is [4-[4-(3,4-dimethylbenzoyl)oxybenzoyl]phenyl] 3,4-dimethylbenzoate;2-(3,4-dimethylbenzoyl)oxyethyl 3,4-dimethylbenzoate;[4-[4-(3,4-dimethylbenzoyl)oxyphenoxy]phenyl] 3,4-dimethylbenzoate;[4-(3,4-dimethylbenzoyl)oxyphenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]propan-2-yl]phenyl] 3,4-dimethylbenzoate;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene.

Molecular Properties

• Compound Name: [4-[4-(3,4-dimethylbenzoyl)oxybenzoyl]phenyl] 3,4-dimethylbenzoate;2-(3,4-dimethylbenzoyl)oxyethyl 3,4-dimethylbenzoate;[4-[4-(3,4-dimethylbenzoyl)oxyphenoxy]phenyl] 3,4-dimethylbenzoate;[4-(3,4-dimethylbenzoyl)oxyphenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]propan-2-yl]phenyl] 3,4-dimethylbenzoate;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene
• PubChem CID: 157304472
• Molecular Formula: C203H190F6O29S
• Molecular Weight: 3239.78 g/mol
• Exact Mass: 3237.30
• IUPAC Name: [4-[4-(3,4-dimethylbenzoyl)oxybenzoyl]phenyl] 3,4-dimethylbenzoate;2-(3,4-dimethylbenzoyl)oxyethyl 3,4-dimethylbenzoate;[4-[4-(3,4-dimethylbenzoyl)oxyphenoxy]phenyl] 3,4-dimethylbenzoate;[4-(3,4-dimethylbenzoyl)oxyphenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]propan-2-yl]phenyl] 3,4-dimethylbenzoate;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene
• SMILES: Cc1ccc(C(=O)OCCOC(=O)c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(=O)Oc2ccc(C(=O)c3ccc(OC(=O)c4ccc(C)c(C)c4)cc3)cc2)cc1C.Cc1ccc(C(=O)Oc2ccc(C(C)(C)c3ccc(OC(=O)c4ccc(C)c(C)c4)cc3)cc2)cc1C.Cc1ccc(C(=O)Oc2ccc(C(c3ccc(OC(=O)c4ccc(C)c(C)c4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1C.Cc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(C)c(C)c3)cc2)cc1C.Cc1ccc(C(=O)Oc2ccc(Oc3ccc(OC(=O)c4ccc(C)c(C)c4)cc3)cc2)cc1C.Cc1ccc(Oc2ccc(C)c(C)c2)cc1C.Cc1ccc(S(=O)(=O)c2ccc(C)c(C)c2)cc1C
• InChI: InChI=1S/C33H26F6O4.C33H32O4.C31H26O5.C30H26O5.C24H22O4.C20H22O4.C16H18O2S.C16H18O/c1-19-5-7-23(17-21(19)3)29(40)42-27-13-9-25(10-14-27)31(32(34,35)36,33(37,38)39)26-11-15-28(16-12-26)43-30(41)24-8-6-20(2)22(4)18-24;1-21-7-9-25(19-23(21)3)31(34)36-29-15-11-27(12-16-29)33(5,6)28-13-17-30(18-14-28)37-32(35)26-10-8-22(2)24(4)20-26;1-19-5-7-25(17-21(19)3)30(33)35-27-13-9-23(10-14-27)29(32)24-11-15-28(16-12-24)36-31(34)26-8-6-20(2)22(4)18-26;1-19-5-7-23(17-21(19)3)29(31)34-27-13-9-25(10-14-27)33-26-11-15-28(16-12-26)35-30(32)24-8-6-20(2)22(4)18-24;1-15-5-7-19(13-17(15)3)23(25)27-21-9-11-22(12-10-21)28-24(26)20-8-6-16(2)18(4)14-20;1-13-5-7-17(11-15(13)3)19(21)23-9-10-24-20(22)18-8-6-14(2)16(4)12-18;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/h5-18H,1-4H3;7-20H,1-6H3;5-18H,1-4H3;5-18H,1-4H3;5-14H,1-4H3;5-8,11-12H,9-10H2,1-4H3;5-10H,1-4H3;5-10H,1-4H3
• InChIKey: BCHGPRIMQARXOV-UHFFFAOYSA-N
• XLogP: 47.95
• TPSA: 385.27 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 37
• Heavy Atoms: 239
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3239.78
LogP ≤ 5	47.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[4-(3,4-dimethylbenzoyl)oxybenzoyl]phenyl] 3,4-dimethylbenzoate;2-(3,4-dimethylbenzoyl)oxyethyl 3,4-dimethylbenzoate;[4-[4-(3,4-dimethylbenzoyl)oxyphenoxy]phenyl] 3,4-dimethylbenzoate;[4-(3,4-dimethylbenzoyl)oxyphenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]propan-2-yl]phenyl] 3,4-dimethylbenzoate;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene?

The IUPAC name of [4-[4-(3,4-dimethylbenzoyl)oxybenzoyl]phenyl] 3,4-dimethylbenzoate;2-(3,4-dimethylbenzoyl)oxyethyl 3,4-dimethylbenzoate;[4-[4-(3,4-dimethylbenzoyl)oxyphenoxy]phenyl] 3,4-dimethylbenzoate;[4-(3,4-dimethylbenzoyl)oxyphenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]propan-2-yl]phenyl] 3,4-dimethylbenzoate;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene (CID 157304472) is [4-[4-(3,4-dimethylbenzoyl)oxybenzoyl]phenyl] 3,4-dimethylbenzoate;2-(3,4-dimethylbenzoyl)oxyethyl 3,4-dimethylbenzoate;[4-[4-(3,4-dimethylbenzoyl)oxyphenoxy]phenyl] 3,4-dimethylbenzoate;[4-(3,4-dimethylbenzoyl)oxyphenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]propan-2-yl]phenyl] 3,4-dimethylbenzoate;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene.

What is the SMILES notation for [4-[4-(3,4-dimethylbenzoyl)oxybenzoyl]phenyl] 3,4-dimethylbenzoate;2-(3,4-dimethylbenzoyl)oxyethyl 3,4-dimethylbenzoate;[4-[4-(3,4-dimethylbenzoyl)oxyphenoxy]phenyl] 3,4-dimethylbenzoate;[4-(3,4-dimethylbenzoyl)oxyphenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]propan-2-yl]phenyl] 3,4-dimethylbenzoate;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene?

The canonical SMILES for [4-[4-(3,4-dimethylbenzoyl)oxybenzoyl]phenyl] 3,4-dimethylbenzoate;2-(3,4-dimethylbenzoyl)oxyethyl 3,4-dimethylbenzoate;[4-[4-(3,4-dimethylbenzoyl)oxyphenoxy]phenyl] 3,4-dimethylbenzoate;[4-(3,4-dimethylbenzoyl)oxyphenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]propan-2-yl]phenyl] 3,4-dimethylbenzoate;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene is Cc1ccc(C(=O)OCCOC(=O)c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(=O)Oc2ccc(C(=O)c3ccc(OC(=O)c4ccc(C)c(C)c4)cc3)cc2)cc1C.Cc1ccc(C(=O)Oc2ccc(C(C)(C)c3ccc(OC(=O)c4ccc(C)c(C)c4)cc3)cc2)cc1C.Cc1ccc(C(=O)Oc2ccc(C(c3ccc(OC(=O)c4ccc(C)c(C)c4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1C.Cc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(C)c(C)c3)cc2)cc1C.Cc1ccc(C(=O)Oc2ccc(Oc3ccc(OC(=O)c4ccc(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 [4-[4-(3,4-dimethylbenzoyl)oxybenzoyl]phenyl] 3,4-dimethylbenzoate;2-(3,4-dimethylbenzoyl)oxyethyl 3,4-dimethylbenzoate;[4-[4-(3,4-dimethylbenzoyl)oxyphenoxy]phenyl] 3,4-dimethylbenzoate;[4-(3,4-dimethylbenzoyl)oxyphenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]propan-2-yl]phenyl] 3,4-dimethylbenzoate;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene?

The InChIKey is BCHGPRIMQARXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26F6O4.C33H32O4.C31H26O5.C30H26O5.C24H22O4.C20H22O4.C16H18O2S.C16H18O/c1-19-5-7-23(17-21(19)3)29(40)42-27-13-9-25(10-14-27)31(32(34,35)36,33(37,38)39)26-11-15-28(16-12-26)43-30(41)24-8-6-20(2)22(4)18-24;1-21-7-9-25(19-23(21)3)31(34)36-29-15-11-27(12-16-29)33(5,6)28-13-17-30(18-14-28)37-32(35)26-10-8-22(2)24(4)20-26;1-19-5-7-25(17-21(19)3)30(33)35-27-13-9-23(10-14-27)29(32)24-11-15-28(16-12-24)36-31(34)26-8-6-20(2)22(4)18-26;1-19-5-7-23(17-21(19)3)29(31)34-27-13-9-25(10-14-27)33-26-11-15-28(16-12-26)35-30(32)24-8-6-20(2)22(4)18-24;1-15-5-7-19(13-17(15)3)23(25)27-21-9-11-22(12-10-21)28-24(26)20-8-6-16(2)18(4)14-20;1-13-5-7-17(11-15(13)3)19(21)23-9-10-24-20(22)18-8-6-14(2)16(4)12-18;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/h5-18H,1-4H3;7-20H,1-6H3;5-18H,1-4H3;5-18H,1-4H3;5-14H,1-4H3;5-8,11-12H,9-10H2,1-4H3;5-10H,1-4H3;5-10H,1-4H3.

What are the key properties of [4-[4-(3,4-dimethylbenzoyl)oxybenzoyl]phenyl] 3,4-dimethylbenzoate;2-(3,4-dimethylbenzoyl)oxyethyl 3,4-dimethylbenzoate;[4-[4-(3,4-dimethylbenzoyl)oxyphenoxy]phenyl] 3,4-dimethylbenzoate;[4-(3,4-dimethylbenzoyl)oxyphenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]propan-2-yl]phenyl] 3,4-dimethylbenzoate;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene?

[4-[4-(3,4-dimethylbenzoyl)oxybenzoyl]phenyl] 3,4-dimethylbenzoate;2-(3,4-dimethylbenzoyl)oxyethyl 3,4-dimethylbenzoate;[4-[4-(3,4-dimethylbenzoyl)oxyphenoxy]phenyl] 3,4-dimethylbenzoate;[4-(3,4-dimethylbenzoyl)oxyphenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]propan-2-yl]phenyl] 3,4-dimethylbenzoate;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene has a molecular weight of 3239.78 g/mol, XLogP of 47.95, 37 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-(3,4-dimethylbenzoyl)oxybenzoyl]phenyl] 3,4-dimethylbenzoate;2-(3,4-dimethylbenzoyl)oxyethyl 3,4-dimethylbenzoate;[4-[4-(3,4-dimethylbenzoyl)oxyphenoxy]phenyl] 3,4-dimethylbenzoate;[4-(3,4-dimethylbenzoyl)oxyphenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]propan-2-yl]phenyl] 3,4-dimethylbenzoate;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene is sourced from PubChem (CID 157304472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).