[4-(4-butylbenzoyl)oxy-3-methylphenyl] 4-butylbenzoate;[4-(4-ethoxybenzoyl)oxy-3-methylphenyl] 4-methylbenzoate;[4-(4-ethylbenzoyl)oxy-3-methylphenyl] 4-ethylbenzoate;[4-(4-methoxybenzoyl)oxy-3-methylphenyl] 4-methylbenzoate;[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-3-methylphenyl] (E)-3-(4-methylphenyl)prop-2-enoate;[3-methyl-4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate;[3-methyl-4-(4-phenylbenzoyl)oxyphenyl] 4-phenylbenzoate;[3-methyl-4-[(E)-3-phenylprop-2-enoyl]oxyphenyl] (E)-3-phenylprop-2-enoate;[3-methyl-4-(4-propylbenzoyl)oxyphenyl] 4-propylbenzoate

C236H214O39 — CID 158888074

About [4-(4-butylbenzoyl)oxy-3-methylphenyl] 4-butylbenzoate;[4-(4-ethoxybenzoyl)oxy-3-methylphenyl] 4-methylbenzoate;[4-(4-ethylbenzoyl)oxy-3-methylphenyl] 4-ethylbenzoate;[4-(4-methoxybenzoyl)oxy-3-methylphenyl] 4-methylbenzoate;[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-3-methylphenyl] (E)-3-(4-methylphenyl)prop-2-enoate;[3-methyl-4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate;[3-methyl-4-(4-phenylbenzoyl)oxyphenyl] 4-phenylbenzoate;[3-methyl-4-[(E)-3-phenylprop-2-enoyl]oxyphenyl] (E)-3-phenylprop-2-enoate;[3-methyl-4-(4-propylbenzoyl)oxyphenyl] 4-propylbenzoate

[4-(4-butylbenzoyl)oxy-3-methylphenyl] 4-butylbenzoate;[4-(4-ethoxybenzoyl)oxy-3-methylphenyl] 4-methylbenzoate;[4-(4-ethylbenzoyl)oxy-3-methylphenyl] 4-ethylbenzoate;[4-(4-methoxybenzoyl)oxy-3-methylphenyl] 4-methylbenzoate;[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-3-methylphenyl] (E)-3-(4-methylphenyl)prop-2-enoate;[3-methyl-4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate;[3-methyl-4-(4-phenylbenzoyl)oxyphenyl] 4-phenylbenzoate;[3-methyl-4-[(E)-3-phenylprop-2-enoyl]oxyphenyl] (E)-3-phenylprop-2-enoate;[3-methyl-4-(4-propylbenzoyl)oxyphenyl] 4-propylbenzoate (PubChem CID 158888074) has the molecular formula C236H214O39 and a molecular weight of 3674.27 g/mol. Its IUPAC name is [4-(4-butylbenzoyl)oxy-3-methylphenyl] 4-butylbenzoate;[4-(4-ethoxybenzoyl)oxy-3-methylphenyl] 4-methylbenzoate;[4-(4-ethylbenzoyl)oxy-3-methylphenyl] 4-ethylbenzoate;[4-(4-methoxybenzoyl)oxy-3-methylphenyl] 4-methylbenzoate;[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-3-methylphenyl] (E)-3-(4-methylphenyl)prop-2-enoate;[3-methyl-4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate;[3-methyl-4-(4-phenylbenzoyl)oxyphenyl] 4-phenylbenzoate;[3-methyl-4-[(E)-3-phenylprop-2-enoyl]oxyphenyl] (E)-3-phenylprop-2-enoate;[3-methyl-4-(4-propylbenzoyl)oxyphenyl] 4-propylbenzoate.

Molecular Properties

• Compound Name: [4-(4-butylbenzoyl)oxy-3-methylphenyl] 4-butylbenzoate;[4-(4-ethoxybenzoyl)oxy-3-methylphenyl] 4-methylbenzoate;[4-(4-ethylbenzoyl)oxy-3-methylphenyl] 4-ethylbenzoate;[4-(4-methoxybenzoyl)oxy-3-methylphenyl] 4-methylbenzoate;[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-3-methylphenyl] (E)-3-(4-methylphenyl)prop-2-enoate;[3-methyl-4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate;[3-methyl-4-(4-phenylbenzoyl)oxyphenyl] 4-phenylbenzoate;[3-methyl-4-[(E)-3-phenylprop-2-enoyl]oxyphenyl] (E)-3-phenylprop-2-enoate;[3-methyl-4-(4-propylbenzoyl)oxyphenyl] 4-propylbenzoate
• PubChem CID: 158888074
• Molecular Formula: C236H214O39
• Molecular Weight: 3674.27 g/mol
• Exact Mass: 3671.48
• IUPAC Name: [4-(4-butylbenzoyl)oxy-3-methylphenyl] 4-butylbenzoate;[4-(4-ethoxybenzoyl)oxy-3-methylphenyl] 4-methylbenzoate;[4-(4-ethylbenzoyl)oxy-3-methylphenyl] 4-ethylbenzoate;[4-(4-methoxybenzoyl)oxy-3-methylphenyl] 4-methylbenzoate;[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-3-methylphenyl] (E)-3-(4-methylphenyl)prop-2-enoate;[3-methyl-4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate;[3-methyl-4-(4-phenylbenzoyl)oxyphenyl] 4-phenylbenzoate;[3-methyl-4-[(E)-3-phenylprop-2-enoyl]oxyphenyl] (E)-3-phenylprop-2-enoate;[3-methyl-4-(4-propylbenzoyl)oxyphenyl] 4-propylbenzoate
• SMILES: CCCCc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(CCCC)cc3)c(C)c2)cc1.CCCc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(CCC)cc3)c(C)c2)cc1.CCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(C)cc3)cc2C)cc1.CCc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(CC)cc3)c(C)c2)cc1.COc1ccc(/C=C/C(=O)Oc2ccc(OC(=O)/C=C/c3ccc(C)cc3)cc2C)cc1.COc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(C)cc3)cc2C)cc1.Cc1cc(OC(=O)/C=C/c2ccccc2)ccc1OC(=O)/C=C/c1ccccc1.Cc1cc(OC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1ccc(-c2ccccc2)cc1.Cc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(C)cc3)c(C)c2)cc1
• InChI: InChI=1S/C33H24O4.C29H32O4.C27H24O5.C27H28O4.C25H20O4.C25H24O4.C24H22O5.C23H20O5.C23H20O4/c1-23-22-30(36-32(34)28-16-12-26(13-17-28)24-8-4-2-5-9-24)20-21-31(23)37-33(35)29-18-14-27(15-19-29)25-10-6-3-7-11-25;1-4-6-8-22-10-14-24(15-11-22)28(30)32-26-18-19-27(21(3)20-26)33-29(31)25-16-12-23(13-17-25)9-7-5-2;1-19-4-6-21(7-5-19)10-16-26(28)31-24-14-15-25(20(2)18-24)32-27(29)17-11-22-8-12-23(30-3)13-9-22;1-4-6-20-8-12-22(13-9-20)26(28)30-24-16-17-25(19(3)18-24)31-27(29)23-14-10-21(7-5-2)11-15-23;1-19-18-22(28-24(26)16-12-20-8-4-2-5-9-20)14-15-23(19)29-25(27)17-13-21-10-6-3-7-11-21;1-4-18-6-10-20(11-7-18)24(26)28-22-14-15-23(17(3)16-22)29-25(27)21-12-8-19(5-2)9-13-21;1-4-27-20-11-9-19(10-12-20)24(26)29-22-14-13-21(15-17(22)3)28-23(25)18-7-5-16(2)6-8-18;1-15-4-6-17(7-5-15)22(24)27-20-12-13-21(16(2)14-20)28-23(25)18-8-10-19(26-3)11-9-18;1-15-4-8-18(9-5-15)22(24)26-20-12-13-21(17(3)14-20)27-23(25)19-10-6-16(2)7-11-19/h2-22H,1H3;10-20H,4-9H2,1-3H3;4-18H,1-3H3;8-18H,4-7H2,1-3H3;2-18H,1H3;6-16H,4-5H2,1-3H3;5-15H,4H2,1-3H3;4-14H,1-3H3;4-14H,1-3H3/b;;16-10+,17-11+;;16-12+,17-13+
• InChIKey: JDWNLPVSOWFLGY-PDSZSIEKSA-N
• XLogP: 52.51
• TPSA: 501.09 Ų
• H-Bond Acceptors: 39
• Rotatable Bonds: 58
• Heavy Atoms: 275
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3674.27
LogP ≤ 5	52.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-(4-butylbenzoyl)oxy-3-methylphenyl] 4-butylbenzoate;[4-(4-ethoxybenzoyl)oxy-3-methylphenyl] 4-methylbenzoate;[4-(4-ethylbenzoyl)oxy-3-methylphenyl] 4-ethylbenzoate;[4-(4-methoxybenzoyl)oxy-3-methylphenyl] 4-methylbenzoate;[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-3-methylphenyl] (E)-3-(4-methylphenyl)prop-2-enoate;[3-methyl-4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate;[3-methyl-4-(4-phenylbenzoyl)oxyphenyl] 4-phenylbenzoate;[3-methyl-4-[(E)-3-phenylprop-2-enoyl]oxyphenyl] (E)-3-phenylprop-2-enoate;[3-methyl-4-(4-propylbenzoyl)oxyphenyl] 4-propylbenzoate?

The IUPAC name of [4-(4-butylbenzoyl)oxy-3-methylphenyl] 4-butylbenzoate;[4-(4-ethoxybenzoyl)oxy-3-methylphenyl] 4-methylbenzoate;[4-(4-ethylbenzoyl)oxy-3-methylphenyl] 4-ethylbenzoate;[4-(4-methoxybenzoyl)oxy-3-methylphenyl] 4-methylbenzoate;[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-3-methylphenyl] (E)-3-(4-methylphenyl)prop-2-enoate;[3-methyl-4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate;[3-methyl-4-(4-phenylbenzoyl)oxyphenyl] 4-phenylbenzoate;[3-methyl-4-[(E)-3-phenylprop-2-enoyl]oxyphenyl] (E)-3-phenylprop-2-enoate;[3-methyl-4-(4-propylbenzoyl)oxyphenyl] 4-propylbenzoate (CID 158888074) is [4-(4-butylbenzoyl)oxy-3-methylphenyl] 4-butylbenzoate;[4-(4-ethoxybenzoyl)oxy-3-methylphenyl] 4-methylbenzoate;[4-(4-ethylbenzoyl)oxy-3-methylphenyl] 4-ethylbenzoate;[4-(4-methoxybenzoyl)oxy-3-methylphenyl] 4-methylbenzoate;[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-3-methylphenyl] (E)-3-(4-methylphenyl)prop-2-enoate;[3-methyl-4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate;[3-methyl-4-(4-phenylbenzoyl)oxyphenyl] 4-phenylbenzoate;[3-methyl-4-[(E)-3-phenylprop-2-enoyl]oxyphenyl] (E)-3-phenylprop-2-enoate;[3-methyl-4-(4-propylbenzoyl)oxyphenyl] 4-propylbenzoate.

What is the SMILES notation for [4-(4-butylbenzoyl)oxy-3-methylphenyl] 4-butylbenzoate;[4-(4-ethoxybenzoyl)oxy-3-methylphenyl] 4-methylbenzoate;[4-(4-ethylbenzoyl)oxy-3-methylphenyl] 4-ethylbenzoate;[4-(4-methoxybenzoyl)oxy-3-methylphenyl] 4-methylbenzoate;[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-3-methylphenyl] (E)-3-(4-methylphenyl)prop-2-enoate;[3-methyl-4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate;[3-methyl-4-(4-phenylbenzoyl)oxyphenyl] 4-phenylbenzoate;[3-methyl-4-[(E)-3-phenylprop-2-enoyl]oxyphenyl] (E)-3-phenylprop-2-enoate;[3-methyl-4-(4-propylbenzoyl)oxyphenyl] 4-propylbenzoate?

The canonical SMILES for [4-(4-butylbenzoyl)oxy-3-methylphenyl] 4-butylbenzoate;[4-(4-ethoxybenzoyl)oxy-3-methylphenyl] 4-methylbenzoate;[4-(4-ethylbenzoyl)oxy-3-methylphenyl] 4-ethylbenzoate;[4-(4-methoxybenzoyl)oxy-3-methylphenyl] 4-methylbenzoate;[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-3-methylphenyl] (E)-3-(4-methylphenyl)prop-2-enoate;[3-methyl-4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate;[3-methyl-4-(4-phenylbenzoyl)oxyphenyl] 4-phenylbenzoate;[3-methyl-4-[(E)-3-phenylprop-2-enoyl]oxyphenyl] (E)-3-phenylprop-2-enoate;[3-methyl-4-(4-propylbenzoyl)oxyphenyl] 4-propylbenzoate is CCCCc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(CCCC)cc3)c(C)c2)cc1.CCCc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(CCC)cc3)c(C)c2)cc1.CCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(C)cc3)cc2C)cc1.CCc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(CC)cc3)c(C)c2)cc1.COc1ccc(/C=C/C(=O)Oc2ccc(OC(=O)/C=C/c3ccc(C)cc3)cc2C)cc1.COc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(C)cc3)cc2C)cc1.Cc1cc(OC(=O)/C=C/c2ccccc2)ccc1OC(=O)/C=C/c1ccccc1.Cc1cc(OC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1ccc(-c2ccccc2)cc1.Cc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(C)cc3)c(C)c2)cc1.

What is the InChIKey of [4-(4-butylbenzoyl)oxy-3-methylphenyl] 4-butylbenzoate;[4-(4-ethoxybenzoyl)oxy-3-methylphenyl] 4-methylbenzoate;[4-(4-ethylbenzoyl)oxy-3-methylphenyl] 4-ethylbenzoate;[4-(4-methoxybenzoyl)oxy-3-methylphenyl] 4-methylbenzoate;[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-3-methylphenyl] (E)-3-(4-methylphenyl)prop-2-enoate;[3-methyl-4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate;[3-methyl-4-(4-phenylbenzoyl)oxyphenyl] 4-phenylbenzoate;[3-methyl-4-[(E)-3-phenylprop-2-enoyl]oxyphenyl] (E)-3-phenylprop-2-enoate;[3-methyl-4-(4-propylbenzoyl)oxyphenyl] 4-propylbenzoate?

The InChIKey is JDWNLPVSOWFLGY-PDSZSIEKSA-N. The full InChI is InChI=1S/C33H24O4.C29H32O4.C27H24O5.C27H28O4.C25H20O4.C25H24O4.C24H22O5.C23H20O5.C23H20O4/c1-23-22-30(36-32(34)28-16-12-26(13-17-28)24-8-4-2-5-9-24)20-21-31(23)37-33(35)29-18-14-27(15-19-29)25-10-6-3-7-11-25;1-4-6-8-22-10-14-24(15-11-22)28(30)32-26-18-19-27(21(3)20-26)33-29(31)25-16-12-23(13-17-25)9-7-5-2;1-19-4-6-21(7-5-19)10-16-26(28)31-24-14-15-25(20(2)18-24)32-27(29)17-11-22-8-12-23(30-3)13-9-22;1-4-6-20-8-12-22(13-9-20)26(28)30-24-16-17-25(19(3)18-24)31-27(29)23-14-10-21(7-5-2)11-15-23;1-19-18-22(28-24(26)16-12-20-8-4-2-5-9-20)14-15-23(19)29-25(27)17-13-21-10-6-3-7-11-21;1-4-18-6-10-20(11-7-18)24(26)28-22-14-15-23(17(3)16-22)29-25(27)21-12-8-19(5-2)9-13-21;1-4-27-20-11-9-19(10-12-20)24(26)29-22-14-13-21(15-17(22)3)28-23(25)18-7-5-16(2)6-8-18;1-15-4-6-17(7-5-15)22(24)27-20-12-13-21(16(2)14-20)28-23(25)18-8-10-19(26-3)11-9-18;1-15-4-8-18(9-5-15)22(24)26-20-12-13-21(17(3)14-20)27-23(25)19-10-6-16(2)7-11-19/h2-22H,1H3;10-20H,4-9H2,1-3H3;4-18H,1-3H3;8-18H,4-7H2,1-3H3;2-18H,1H3;6-16H,4-5H2,1-3H3;5-15H,4H2,1-3H3;4-14H,1-3H3;4-14H,1-3H3/b;;16-10+,17-11+;;16-12+,17-13+;;;;.

What are the key properties of [4-(4-butylbenzoyl)oxy-3-methylphenyl] 4-butylbenzoate;[4-(4-ethoxybenzoyl)oxy-3-methylphenyl] 4-methylbenzoate;[4-(4-ethylbenzoyl)oxy-3-methylphenyl] 4-ethylbenzoate;[4-(4-methoxybenzoyl)oxy-3-methylphenyl] 4-methylbenzoate;[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-3-methylphenyl] (E)-3-(4-methylphenyl)prop-2-enoate;[3-methyl-4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate;[3-methyl-4-(4-phenylbenzoyl)oxyphenyl] 4-phenylbenzoate;[3-methyl-4-[(E)-3-phenylprop-2-enoyl]oxyphenyl] (E)-3-phenylprop-2-enoate;[3-methyl-4-(4-propylbenzoyl)oxyphenyl] 4-propylbenzoate?

[4-(4-butylbenzoyl)oxy-3-methylphenyl] 4-butylbenzoate;[4-(4-ethoxybenzoyl)oxy-3-methylphenyl] 4-methylbenzoate;[4-(4-ethylbenzoyl)oxy-3-methylphenyl] 4-ethylbenzoate;[4-(4-methoxybenzoyl)oxy-3-methylphenyl] 4-methylbenzoate;[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-3-methylphenyl] (E)-3-(4-methylphenyl)prop-2-enoate;[3-methyl-4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate;[3-methyl-4-(4-phenylbenzoyl)oxyphenyl] 4-phenylbenzoate;[3-methyl-4-[(E)-3-phenylprop-2-enoyl]oxyphenyl] (E)-3-phenylprop-2-enoate;[3-methyl-4-(4-propylbenzoyl)oxyphenyl] 4-propylbenzoate has a molecular weight of 3674.27 g/mol, XLogP of 52.51, 58 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(4-butylbenzoyl)oxy-3-methylphenyl] 4-butylbenzoate;[4-(4-ethoxybenzoyl)oxy-3-methylphenyl] 4-methylbenzoate;[4-(4-ethylbenzoyl)oxy-3-methylphenyl] 4-ethylbenzoate;[4-(4-methoxybenzoyl)oxy-3-methylphenyl] 4-methylbenzoate;[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-3-methylphenyl] (E)-3-(4-methylphenyl)prop-2-enoate;[3-methyl-4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate;[3-methyl-4-(4-phenylbenzoyl)oxyphenyl] 4-phenylbenzoate;[3-methyl-4-[(E)-3-phenylprop-2-enoyl]oxyphenyl] (E)-3-phenylprop-2-enoate;[3-methyl-4-(4-propylbenzoyl)oxyphenyl] 4-propylbenzoate is sourced from PubChem (CID 158888074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).