[4-[4-chloro-3-[4-(4-hexoxybenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-hexoxybenzoate;[3-[4-(4-decoxyphenyl)benzoyl]oxy-5-fluorophenyl] 4-(4-decoxyphenyl)benzoate;[3-[4-(4-hexoxycyclohexyl)benzoyl]oxyphenyl] 4-(4-hexoxycyclohexyl)benzoate;[3-[4-(4-hexoxyphenyl)benzoyl]oxyphenyl] 4-(4-hexoxyphenyl)benzoate;[3-[4-(4-hexoxyphenyl)cyclohexanecarbonyl]oxyphenyl] 4-(4-hexoxyphenyl)cyclohexane-1-carboxylate

C230H268ClFO34 — CID 157211131

IUPAC[4-[4-chloro-3-[4-(4-hexoxybenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-hexoxybenzoate;[3-[4-(4-decoxyphenyl)benzoyl]oxy-5-fluorophenyl] 4-(4-decoxyphenyl)benzoate;[3-[4-(4-hexoxycyclohexyl)benzoyl]oxyphenyl] 4-(4-hexoxycyclohexyl)benzoate;[3-[4-(4-hexoxyphenyl)benzoyl]oxyphenyl] 4-(4-hexoxyphenyl)benzoate;[3-[4-(4-hexoxyphenyl)cyclohexanecarbonyl]oxyphenyl] 4-(4-hexoxyphenyl)cyclohexane-1-carboxylate
SMILESCCCCCCCCCCOc1ccc(-c2ccc(C(=O)Oc3cc(F)cc(OC(=O)c4ccc(-c5ccc(OCCCCCCCCCC)cc5)cc4)c3)cc2)cc1.CCCCCCOC1CCC(c2ccc(C(=O)Oc3cccc(OC(=O)c4ccc(C5CCC(OCCCCCC)CC5)cc4)c3)cc2)CC1.CCCCCCOc1ccc(-c2ccc(C(=O)Oc3cccc(OC(=O)c4ccc(-c5ccc(OCCCCCC)cc5)cc4)c3)cc2)cc1.CCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(Cl)c(OC(=O)c4ccc(OC(=O)c5ccc(OCCCCCC)cc5)cc4)c3)cc2)cc1.CCCCCCOc1ccc(C2CCC(C(=O)Oc3cccc(OC(=O)C4CCC(c5ccc(OCCCCCC)cc5)CC4)c3)CC2)cc1
InChIInChI=1S/C52H61FO6.C46H45ClO10.2C44H58O6.C44H46O6/c1-3-5-7-9-11-13-15-17-35-56-47-31-27-42(28-32-47)40-19-23-44(24-20-40)51(54)58-49-37-46(53)38-50(39-49)59-52(55)45-25-21-41(22-26-45)43-29-33-48(34-30-43)57-36-18-16-14-12-10-8-6-4-2;1-3-5-7-9-29-52-36-19-11-32(12-20-36)43(48)54-38-23-15-34(16-24-38)45(50)56-40-27-28-41(47)42(31-40)57-46(51)35-17-25-39(26-18-35)55-44(49)33-13-21-37(22-14-33)53-30-10-8-6-4-2;3*1-3-5-7-9-30-47-39-26-22-35(23-27-39)33-14-18-37(19-15-33)43(45)49-41-12-11-13-42(32-41)50-44(46)38-20-16-34(17-21-38)36-24-28-40(29-25-36)48-31-10-8-6-4-2/h19-34,37-39H,3-18,35-36H2,1-2H3;11-28,31H,3-10,29-30H2,1-2H3;11-13,22-29,32-34,37-38H,3-10,14-21,30-31H2,1-2H3;11-21,32,35-36,39-40H,3-10,22-31H2,1-2H3;11-29,32H,3-10,30-31H2,1-2H3
InChIKeyARWZVKSGAVDAMG-UHFFFAOYSA-N
MW3631.09 g/mol
LogP59.88
Rot. Bonds100

About [4-[4-chloro-3-[4-(4-hexoxybenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-hexoxybenzoate;[3-[4-(4-decoxyphenyl)benzoyl]oxy-5-fluorophenyl] 4-(4-decoxyphenyl)benzoate;[3-[4-(4-hexoxycyclohexyl)benzoyl]oxyphenyl] 4-(4-hexoxycyclohexyl)benzoate;[3-[4-(4-hexoxyphenyl)benzoyl]oxyphenyl] 4-(4-hexoxyphenyl)benzoate;[3-[4-(4-hexoxyphenyl)cyclohexanecarbonyl]oxyphenyl] 4-(4-hexoxyphenyl)cyclohexane-1-carboxylate

[4-[4-chloro-3-[4-(4-hexoxybenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-hexoxybenzoate;[3-[4-(4-decoxyphenyl)benzoyl]oxy-5-fluorophenyl] 4-(4-decoxyphenyl)benzoate;[3-[4-(4-hexoxycyclohexyl)benzoyl]oxyphenyl] 4-(4-hexoxycyclohexyl)benzoate;[3-[4-(4-hexoxyphenyl)benzoyl]oxyphenyl] 4-(4-hexoxyphenyl)benzoate;[3-[4-(4-hexoxyphenyl)cyclohexanecarbonyl]oxyphenyl] 4-(4-hexoxyphenyl)cyclohexane-1-carboxylate (PubChem CID 157211131) has the molecular formula C230H268ClFO34 and a molecular weight of 3631.09 g/mol. Its IUPAC name is [4-[4-chloro-3-[4-(4-hexoxybenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-hexoxybenzoate;[3-[4-(4-decoxyphenyl)benzoyl]oxy-5-fluorophenyl] 4-(4-decoxyphenyl)benzoate;[3-[4-(4-hexoxycyclohexyl)benzoyl]oxyphenyl] 4-(4-hexoxycyclohexyl)benzoate;[3-[4-(4-hexoxyphenyl)benzoyl]oxyphenyl] 4-(4-hexoxyphenyl)benzoate;[3-[4-(4-hexoxyphenyl)cyclohexanecarbonyl]oxyphenyl] 4-(4-hexoxyphenyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Name[4-[4-chloro-3-[4-(4-hexoxybenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-hexoxybenzoate;[3-[4-(4-decoxyphenyl)benzoyl]oxy-5-fluorophenyl] 4-(4-decoxyphenyl)benzoate;[3-[4-(4-hexoxycyclohexyl)benzoyl]oxyphenyl] 4-(4-hexoxycyclohexyl)benzoate;[3-[4-(4-hexoxyphenyl)benzoyl]oxyphenyl] 4-(4-hexoxyphenyl)benzoate;[3-[4-(4-hexoxyphenyl)cyclohexanecarbonyl]oxyphenyl] 4-(4-hexoxyphenyl)cyclohexane-1-carboxylate
PubChem CID157211131
Molecular FormulaC230H268ClFO34
Molecular Weight3631.09 g/mol
Exact Mass3627.89
IUPAC Name[4-[4-chloro-3-[4-(4-hexoxybenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-hexoxybenzoate;[3-[4-(4-decoxyphenyl)benzoyl]oxy-5-fluorophenyl] 4-(4-decoxyphenyl)benzoate;[3-[4-(4-hexoxycyclohexyl)benzoyl]oxyphenyl] 4-(4-hexoxycyclohexyl)benzoate;[3-[4-(4-hexoxyphenyl)benzoyl]oxyphenyl] 4-(4-hexoxyphenyl)benzoate;[3-[4-(4-hexoxyphenyl)cyclohexanecarbonyl]oxyphenyl] 4-(4-hexoxyphenyl)cyclohexane-1-carboxylate
SMILESCCCCCCCCCCOc1ccc(-c2ccc(C(=O)Oc3cc(F)cc(OC(=O)c4ccc(-c5ccc(OCCCCCCCCCC)cc5)cc4)c3)cc2)cc1.CCCCCCOC1CCC(c2ccc(C(=O)Oc3cccc(OC(=O)c4ccc(C5CCC(OCCCCCC)CC5)cc4)c3)cc2)CC1.CCCCCCOc1ccc(-c2ccc(C(=O)Oc3cccc(OC(=O)c4ccc(-c5ccc(OCCCCCC)cc5)cc4)c3)cc2)cc1.CCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(Cl)c(OC(=O)c4ccc(OC(=O)c5ccc(OCCCCCC)cc5)cc4)c3)cc2)cc1.CCCCCCOc1ccc(C2CCC(C(=O)Oc3cccc(OC(=O)C4CCC(c5ccc(OCCCCCC)cc5)CC4)c3)CC2)cc1
InChIInChI=1S/C52H61FO6.C46H45ClO10.2C44H58O6.C44H46O6/c1-3-5-7-9-11-13-15-17-35-56-47-31-27-42(28-32-47)40-19-23-44(24-20-40)51(54)58-49-37-46(53)38-50(39-49)59-52(55)45-25-21-41(22-26-45)43-29-33-48(34-30-43)57-36-18-16-14-12-10-8-6-4-2;1-3-5-7-9-29-52-36-19-11-32(12-20-36)43(48)54-38-23-15-34(16-24-38)45(50)56-40-27-28-41(47)42(31-40)57-46(51)35-17-25-39(26-18-35)55-44(49)33-13-21-37(22-14-33)53-30-10-8-6-4-2;3*1-3-5-7-9-30-47-39-26-22-35(23-27-39)33-14-18-37(19-15-33)43(45)49-41-12-11-13-42(32-41)50-44(46)38-20-16-34(17-21-38)36-24-28-40(29-25-36)48-31-10-8-6-4-2/h19-34,37-39H,3-18,35-36H2,1-2H3;11-28,31H,3-10,29-30H2,1-2H3;11-13,22-29,32-34,37-38H,3-10,14-21,30-31H2,1-2H3;11-21,32,35-36,39-40H,3-10,22-31H2,1-2H3;11-29,32H,3-10,30-31H2,1-2H3
InChIKeyARWZVKSGAVDAMG-UHFFFAOYSA-N
XLogP59.88
TPSA407.90 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds100
Heavy Atoms266
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003631.09
LogP ≤ 559.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze [4-[4-chloro-3-[4-(4-hexoxybenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-hexoxybenzoate;[3-[4-(4-decoxyphenyl)benzoyl]oxy-5-fluorophenyl] 4-(4-decoxyphenyl)benzoate;[3-[4-(4-hexoxycyclohexyl)benzoyl]oxyphenyl] 4-(4-hexoxycyclohexyl)benzoate;[3-[4-(4-hexoxyphenyl)benzoyl]oxyphenyl] 4-(4-hexoxyphenyl)benzoate;[3-[4-(4-hexoxyphenyl)cyclohexanecarbonyl]oxyphenyl] 4-(4-hexoxyphenyl)cyclohexane-1-carboxylate with MolForge

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Related Compounds

4-O-[4-chloro-3-[4-(4-tetradecoxyphenoxy)carbonylbenzoyl]oxyphenyl] 1-O-(4-tetradecoxyphenyl) benzene-1,4-dicarboxylate
CID 102185339
[3-[4-(4-undecoxyphenyl)benzoyl]oxyphenyl] 4-(4-undecoxyphenyl)benzoate
CID 132510534
(4-sulfanylphenyl) 4-(4-octoxycyclohexyl)benzoate
CID 173376394
(4-cyclohexylphenyl) 4-hexoxycyclohexane-1-carboxylate
CID 70557261
[4-[3-[4-(4-hexadecoxybenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-dodecoxybenzoate
CID 102071974
[4-[3-[4-[4-[5-[4-[4-[3-[4-(4-octadecoxybenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenoxy]carbonylphenoxy]pentoxy]benzoyl]oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-octadecoxybenzoate
CID 102574900
[4-[3-[4-[4-(4-hexadecoxybenzoyl)oxybenzoyl]oxyphenyl]phenoxy]carbonylphenyl] 4-octoxybenzoate
CID 102071980
[4-[3-[4-(4-dodecoxyphenyl)benzoyl]oxyphenyl]phenyl] 4-(4-dodecoxyphenyl)benzoate
CID 102441735
[4-[[4-(4-heptoxycyclohexanecarbonyl)oxyphenyl]methylideneamino]phenyl] 4-octoxybenzoate
CID 101027756
(4-cyclohexylphenyl) 4-decoxybenzoate
CID 70557879
(2,4,5-trichlorophenyl) 4-(4-octoxyphenyl)benzoate
CID 10368893
4-O-[2,4-dichloro-5-[4-(4-octoxyphenoxy)carbonylbenzoyl]oxyphenyl] 1-O-(4-octoxyphenyl) benzene-1,4-dicarboxylate
CID 101427828

Frequently Asked Questions

What is the IUPAC name of [4-[4-chloro-3-[4-(4-hexoxybenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-hexoxybenzoate;[3-[4-(4-decoxyphenyl)benzoyl]oxy-5-fluorophenyl] 4-(4-decoxyphenyl)benzoate;[3-[4-(4-hexoxycyclohexyl)benzoyl]oxyphenyl] 4-(4-hexoxycyclohexyl)benzoate;[3-[4-(4-hexoxyphenyl)benzoyl]oxyphenyl] 4-(4-hexoxyphenyl)benzoate;[3-[4-(4-hexoxyphenyl)cyclohexanecarbonyl]oxyphenyl] 4-(4-hexoxyphenyl)cyclohexane-1-carboxylate?
The IUPAC name of [4-[4-chloro-3-[4-(4-hexoxybenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-hexoxybenzoate;[3-[4-(4-decoxyphenyl)benzoyl]oxy-5-fluorophenyl] 4-(4-decoxyphenyl)benzoate;[3-[4-(4-hexoxycyclohexyl)benzoyl]oxyphenyl] 4-(4-hexoxycyclohexyl)benzoate;[3-[4-(4-hexoxyphenyl)benzoyl]oxyphenyl] 4-(4-hexoxyphenyl)benzoate;[3-[4-(4-hexoxyphenyl)cyclohexanecarbonyl]oxyphenyl] 4-(4-hexoxyphenyl)cyclohexane-1-carboxylate (CID 157211131) is [4-[4-chloro-3-[4-(4-hexoxybenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-hexoxybenzoate;[3-[4-(4-decoxyphenyl)benzoyl]oxy-5-fluorophenyl] 4-(4-decoxyphenyl)benzoate;[3-[4-(4-hexoxycyclohexyl)benzoyl]oxyphenyl] 4-(4-hexoxycyclohexyl)benzoate;[3-[4-(4-hexoxyphenyl)benzoyl]oxyphenyl] 4-(4-hexoxyphenyl)benzoate;[3-[4-(4-hexoxyphenyl)cyclohexanecarbonyl]oxyphenyl] 4-(4-hexoxyphenyl)cyclohexane-1-carboxylate.
What is the SMILES notation for [4-[4-chloro-3-[4-(4-hexoxybenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-hexoxybenzoate;[3-[4-(4-decoxyphenyl)benzoyl]oxy-5-fluorophenyl] 4-(4-decoxyphenyl)benzoate;[3-[4-(4-hexoxycyclohexyl)benzoyl]oxyphenyl] 4-(4-hexoxycyclohexyl)benzoate;[3-[4-(4-hexoxyphenyl)benzoyl]oxyphenyl] 4-(4-hexoxyphenyl)benzoate;[3-[4-(4-hexoxyphenyl)cyclohexanecarbonyl]oxyphenyl] 4-(4-hexoxyphenyl)cyclohexane-1-carboxylate?
The canonical SMILES for [4-[4-chloro-3-[4-(4-hexoxybenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-hexoxybenzoate;[3-[4-(4-decoxyphenyl)benzoyl]oxy-5-fluorophenyl] 4-(4-decoxyphenyl)benzoate;[3-[4-(4-hexoxycyclohexyl)benzoyl]oxyphenyl] 4-(4-hexoxycyclohexyl)benzoate;[3-[4-(4-hexoxyphenyl)benzoyl]oxyphenyl] 4-(4-hexoxyphenyl)benzoate;[3-[4-(4-hexoxyphenyl)cyclohexanecarbonyl]oxyphenyl] 4-(4-hexoxyphenyl)cyclohexane-1-carboxylate is CCCCCCCCCCOc1ccc(-c2ccc(C(=O)Oc3cc(F)cc(OC(=O)c4ccc(-c5ccc(OCCCCCCCCCC)cc5)cc4)c3)cc2)cc1.CCCCCCOC1CCC(c2ccc(C(=O)Oc3cccc(OC(=O)c4ccc(C5CCC(OCCCCCC)CC5)cc4)c3)cc2)CC1.CCCCCCOc1ccc(-c2ccc(C(=O)Oc3cccc(OC(=O)c4ccc(-c5ccc(OCCCCCC)cc5)cc4)c3)cc2)cc1.CCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(Cl)c(OC(=O)c4ccc(OC(=O)c5ccc(OCCCCCC)cc5)cc4)c3)cc2)cc1.CCCCCCOc1ccc(C2CCC(C(=O)Oc3cccc(OC(=O)C4CCC(c5ccc(OCCCCCC)cc5)CC4)c3)CC2)cc1.
What is the InChIKey of [4-[4-chloro-3-[4-(4-hexoxybenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-hexoxybenzoate;[3-[4-(4-decoxyphenyl)benzoyl]oxy-5-fluorophenyl] 4-(4-decoxyphenyl)benzoate;[3-[4-(4-hexoxycyclohexyl)benzoyl]oxyphenyl] 4-(4-hexoxycyclohexyl)benzoate;[3-[4-(4-hexoxyphenyl)benzoyl]oxyphenyl] 4-(4-hexoxyphenyl)benzoate;[3-[4-(4-hexoxyphenyl)cyclohexanecarbonyl]oxyphenyl] 4-(4-hexoxyphenyl)cyclohexane-1-carboxylate?
The InChIKey is ARWZVKSGAVDAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H61FO6.C46H45ClO10.2C44H58O6.C44H46O6/c1-3-5-7-9-11-13-15-17-35-56-47-31-27-42(28-32-47)40-19-23-44(24-20-40)51(54)58-49-37-46(53)38-50(39-49)59-52(55)45-25-21-41(22-26-45)43-29-33-48(34-30-43)57-36-18-16-14-12-10-8-6-4-2;1-3-5-7-9-29-52-36-19-11-32(12-20-36)43(48)54-38-23-15-34(16-24-38)45(50)56-40-27-28-41(47)42(31-40)57-46(51)35-17-25-39(26-18-35)55-44(49)33-13-21-37(22-14-33)53-30-10-8-6-4-2;3*1-3-5-7-9-30-47-39-26-22-35(23-27-39)33-14-18-37(19-15-33)43(45)49-41-12-11-13-42(32-41)50-44(46)38-20-16-34(17-21-38)36-24-28-40(29-25-36)48-31-10-8-6-4-2/h19-34,37-39H,3-18,35-36H2,1-2H3;11-28,31H,3-10,29-30H2,1-2H3;11-13,22-29,32-34,37-38H,3-10,14-21,30-31H2,1-2H3;11-21,32,35-36,39-40H,3-10,22-31H2,1-2H3;11-29,32H,3-10,30-31H2,1-2H3.
What are the key properties of [4-[4-chloro-3-[4-(4-hexoxybenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-hexoxybenzoate;[3-[4-(4-decoxyphenyl)benzoyl]oxy-5-fluorophenyl] 4-(4-decoxyphenyl)benzoate;[3-[4-(4-hexoxycyclohexyl)benzoyl]oxyphenyl] 4-(4-hexoxycyclohexyl)benzoate;[3-[4-(4-hexoxyphenyl)benzoyl]oxyphenyl] 4-(4-hexoxyphenyl)benzoate;[3-[4-(4-hexoxyphenyl)cyclohexanecarbonyl]oxyphenyl] 4-(4-hexoxyphenyl)cyclohexane-1-carboxylate?
[4-[4-chloro-3-[4-(4-hexoxybenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-hexoxybenzoate;[3-[4-(4-decoxyphenyl)benzoyl]oxy-5-fluorophenyl] 4-(4-decoxyphenyl)benzoate;[3-[4-(4-hexoxycyclohexyl)benzoyl]oxyphenyl] 4-(4-hexoxycyclohexyl)benzoate;[3-[4-(4-hexoxyphenyl)benzoyl]oxyphenyl] 4-(4-hexoxyphenyl)benzoate;[3-[4-(4-hexoxyphenyl)cyclohexanecarbonyl]oxyphenyl] 4-(4-hexoxyphenyl)cyclohexane-1-carboxylate has a molecular weight of 3631.09 g/mol, XLogP of 59.88, 100 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-chloro-3-[4-(4-hexoxybenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-hexoxybenzoate;[3-[4-(4-decoxyphenyl)benzoyl]oxy-5-fluorophenyl] 4-(4-decoxyphenyl)benzoate;[3-[4-(4-hexoxycyclohexyl)benzoyl]oxyphenyl] 4-(4-hexoxycyclohexyl)benzoate;[3-[4-(4-hexoxyphenyl)benzoyl]oxyphenyl] 4-(4-hexoxyphenyl)benzoate;[3-[4-(4-hexoxyphenyl)cyclohexanecarbonyl]oxyphenyl] 4-(4-hexoxyphenyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 157211131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).