4-O-(3-chloro-4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(3,5-dimethyl-4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-[4-(2-methylphenyl)phenyl] 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;1-O-[4-(2-methylprop-2-enoyloxy)butyl] 4-O-(4-phenylphenyl) cyclohexane-1,4-dicarboxylate;1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 4-O-(4-phenoxycarbonylphenyl) cyclohexane-1,4-dicarboxylate;bis(1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 4-O-(4-phenylphenyl) cyclohexane-1,4-dicarboxylate);4-O-(4-phenoxycarbonylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(4-prop-2-enoyloxybutyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(3-prop-2-enoyloxypropyl) cyclohexane-1,4-dicarboxylate

C289H309ClO70 — CID 163870527

IUPAC4-O-(3-chloro-4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(3,5-dimethyl-4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-[4-(2-methylphenyl)phenyl] 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;1-O-[4-(2-methylprop-2-enoyloxy)butyl] 4-O-(4-phenylphenyl) cyclohexane-1,4-dicarboxylate;1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 4-O-(4-phenoxycarbonylphenyl) cyclohexane-1,4-dicarboxylate;bis(1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 4-O-(4-phenylphenyl) cyclohexane-1,4-dicarboxylate);4-O-(4-phenoxycarbonylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(4-prop-2-enoyloxybutyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(3-prop-2-enoyloxypropyl) cyclohexane-1,4-dicarboxylate
SMILESC=C(C)C(=O)OCCCCOC(=O)C1CCC(C(=O)Oc2ccc(-c3ccccc3)cc2)CC1.C=C(C)C(=O)OCCOC(=O)C1CCC(C(=O)Oc2ccc(-c3ccccc3)cc2)CC1.C=C(C)C(=O)OCCOC(=O)C1CCC(C(=O)Oc2ccc(-c3ccccc3)cc2)CC1.C=C(C)C(=O)OCCOC(=O)C1CCC(C(=O)Oc2ccc(C(=O)Oc3ccccc3)cc2)CC1.C=CC(=O)OCCCCOC(=O)C1CCC(C(=O)Oc2ccc(-c3ccccc3)cc2)CC1.C=CC(=O)OCCCOC(=O)C1CCC(C(=O)Oc2ccc(-c3ccccc3)cc2)CC1.C=CC(=O)OCCOC(=O)C1CCC(C(=O)Oc2cc(C)c(-c3ccccc3)c(C)c2)CC1.C=CC(=O)OCCOC(=O)C1CCC(C(=O)Oc2ccc(-c3ccccc3)c(Cl)c2)CC1.C=CC(=O)OCCOC(=O)C1CCC(C(=O)Oc2ccc(-c3ccccc3)cc2)CC1.C=CC(=O)OCCOC(=O)C1CCC(C(=O)Oc2ccc(-c3ccccc3C)cc2)CC1.C=CC(=O)OCCOC(=O)C1CCC(C(=O)Oc2ccc(C(=O)Oc3ccccc3)cc2)CC1
InChIInChI=1S/C28H32O6.C27H28O8.2C27H30O6.C26H26O8.4C26H28O6.C25H25ClO6.C25H26O6/c1-20(2)26(29)32-18-6-7-19-33-27(30)23-10-12-24(13-11-23)28(31)34-25-16-14-22(15-17-25)21-8-4-3-5-9-21;1-18(2)24(28)32-16-17-33-25(29)19-8-10-20(11-9-19)26(30)35-23-14-12-21(13-15-23)27(31)34-22-6-4-3-5-7-22;1-4-24(28)31-14-15-32-26(29)21-10-12-22(13-11-21)27(30)33-23-16-18(2)25(19(3)17-23)20-8-6-5-7-9-20;1-2-25(28)31-18-6-7-19-32-26(29)22-10-12-23(13-11-22)27(30)33-24-16-14-21(15-17-24)20-8-4-3-5-9-20;1-2-23(27)31-16-17-32-24(28)18-8-10-19(11-9-18)25(29)34-22-14-12-20(13-15-22)26(30)33-21-6-4-3-5-7-21;2*1-18(2)24(27)30-16-17-31-25(28)21-8-10-22(11-9-21)26(29)32-23-14-12-20(13-15-23)19-6-4-3-5-7-19;1-3-24(27)30-16-17-31-25(28)20-8-10-21(11-9-20)26(29)32-22-14-12-19(13-15-22)23-7-5-4-6-18(23)2;1-2-24(27)30-17-6-18-31-25(28)21-9-11-22(12-10-21)26(29)32-23-15-13-20(14-16-23)19-7-4-3-5-8-19;1-2-23(27)30-14-15-31-24(28)18-8-10-19(11-9-18)25(29)32-20-12-13-21(22(26)16-20)17-6-4-3-5-7-17;1-2-23(26)29-16-17-30-24(27)20-8-10-21(11-9-20)25(28)31-22-14-12-19(13-15-22)18-6-4-3-5-7-18/h3-5,8-9,14-17,23-24H,1,6-7,10-13,18-19H2,2H3;3-7,12-15,19-20H,1,8-11,16-17H2,2H3;4-9,16-17,21-22H,1,10-15H2,2-3H3;2-5,8-9,14-17,22-23H,1,6-7,10-13,18-19H2;2-7,12-15,18-19H,1,8-11,16-17H2;2*3-7,12-15,21-22H,1,8-11,16-17H2,2H3;3-7,12-15,20-21H,1,8-11,16-17H2,2H3;2-5,7-8,13-16,21-22H,1,6,9-12,17-18H2;2-7,12-13,16,18-19H,1,8-11,14-15H2;2-7,12-15,20-21H,1,8-11,16-17H2
InChIKeyPKJWCKNIQZODTK-UHFFFAOYSA-N
MW4938.03 g/mol
LogP51.91
Rot. Bonds95

About 4-O-(3-chloro-4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(3,5-dimethyl-4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-[4-(2-methylphenyl)phenyl] 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;1-O-[4-(2-methylprop-2-enoyloxy)butyl] 4-O-(4-phenylphenyl) cyclohexane-1,4-dicarboxylate;1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 4-O-(4-phenoxycarbonylphenyl) cyclohexane-1,4-dicarboxylate;bis(1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 4-O-(4-phenylphenyl) cyclohexane-1,4-dicarboxylate);4-O-(4-phenoxycarbonylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(4-prop-2-enoyloxybutyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(3-prop-2-enoyloxypropyl) cyclohexane-1,4-dicarboxylate

4-O-(3-chloro-4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(3,5-dimethyl-4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-[4-(2-methylphenyl)phenyl] 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;1-O-[4-(2-methylprop-2-enoyloxy)butyl] 4-O-(4-phenylphenyl) cyclohexane-1,4-dicarboxylate;1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 4-O-(4-phenoxycarbonylphenyl) cyclohexane-1,4-dicarboxylate;bis(1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 4-O-(4-phenylphenyl) cyclohexane-1,4-dicarboxylate);4-O-(4-phenoxycarbonylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(4-prop-2-enoyloxybutyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(3-prop-2-enoyloxypropyl) cyclohexane-1,4-dicarboxylate (PubChem CID 163870527) has the molecular formula C289H309ClO70 and a molecular weight of 4938.03 g/mol. Its IUPAC name is 4-O-(3-chloro-4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(3,5-dimethyl-4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-[4-(2-methylphenyl)phenyl] 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;1-O-[4-(2-methylprop-2-enoyloxy)butyl] 4-O-(4-phenylphenyl) cyclohexane-1,4-dicarboxylate;1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 4-O-(4-phenoxycarbonylphenyl) cyclohexane-1,4-dicarboxylate;bis(1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 4-O-(4-phenylphenyl) cyclohexane-1,4-dicarboxylate);4-O-(4-phenoxycarbonylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(4-prop-2-enoyloxybutyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(3-prop-2-enoyloxypropyl) cyclohexane-1,4-dicarboxylate.

Molecular Properties

Compound Name4-O-(3-chloro-4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(3,5-dimethyl-4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-[4-(2-methylphenyl)phenyl] 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;1-O-[4-(2-methylprop-2-enoyloxy)butyl] 4-O-(4-phenylphenyl) cyclohexane-1,4-dicarboxylate;1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 4-O-(4-phenoxycarbonylphenyl) cyclohexane-1,4-dicarboxylate;bis(1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 4-O-(4-phenylphenyl) cyclohexane-1,4-dicarboxylate);4-O-(4-phenoxycarbonylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(4-prop-2-enoyloxybutyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(3-prop-2-enoyloxypropyl) cyclohexane-1,4-dicarboxylate
PubChem CID163870527
Molecular FormulaC289H309ClO70
Molecular Weight4938.03 g/mol
Exact Mass4934.03
IUPAC Name4-O-(3-chloro-4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(3,5-dimethyl-4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-[4-(2-methylphenyl)phenyl] 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;1-O-[4-(2-methylprop-2-enoyloxy)butyl] 4-O-(4-phenylphenyl) cyclohexane-1,4-dicarboxylate;1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 4-O-(4-phenoxycarbonylphenyl) cyclohexane-1,4-dicarboxylate;bis(1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 4-O-(4-phenylphenyl) cyclohexane-1,4-dicarboxylate);4-O-(4-phenoxycarbonylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(4-prop-2-enoyloxybutyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(3-prop-2-enoyloxypropyl) cyclohexane-1,4-dicarboxylate
SMILESC=C(C)C(=O)OCCCCOC(=O)C1CCC(C(=O)Oc2ccc(-c3ccccc3)cc2)CC1.C=C(C)C(=O)OCCOC(=O)C1CCC(C(=O)Oc2ccc(-c3ccccc3)cc2)CC1.C=C(C)C(=O)OCCOC(=O)C1CCC(C(=O)Oc2ccc(-c3ccccc3)cc2)CC1.C=C(C)C(=O)OCCOC(=O)C1CCC(C(=O)Oc2ccc(C(=O)Oc3ccccc3)cc2)CC1.C=CC(=O)OCCCCOC(=O)C1CCC(C(=O)Oc2ccc(-c3ccccc3)cc2)CC1.C=CC(=O)OCCCOC(=O)C1CCC(C(=O)Oc2ccc(-c3ccccc3)cc2)CC1.C=CC(=O)OCCOC(=O)C1CCC(C(=O)Oc2cc(C)c(-c3ccccc3)c(C)c2)CC1.C=CC(=O)OCCOC(=O)C1CCC(C(=O)Oc2ccc(-c3ccccc3)c(Cl)c2)CC1.C=CC(=O)OCCOC(=O)C1CCC(C(=O)Oc2ccc(-c3ccccc3)cc2)CC1.C=CC(=O)OCCOC(=O)C1CCC(C(=O)Oc2ccc(-c3ccccc3C)cc2)CC1.C=CC(=O)OCCOC(=O)C1CCC(C(=O)Oc2ccc(C(=O)Oc3ccccc3)cc2)CC1
InChIInChI=1S/C28H32O6.C27H28O8.2C27H30O6.C26H26O8.4C26H28O6.C25H25ClO6.C25H26O6/c1-20(2)26(29)32-18-6-7-19-33-27(30)23-10-12-24(13-11-23)28(31)34-25-16-14-22(15-17-25)21-8-4-3-5-9-21;1-18(2)24(28)32-16-17-33-25(29)19-8-10-20(11-9-19)26(30)35-23-14-12-21(13-15-23)27(31)34-22-6-4-3-5-7-22;1-4-24(28)31-14-15-32-26(29)21-10-12-22(13-11-21)27(30)33-23-16-18(2)25(19(3)17-23)20-8-6-5-7-9-20;1-2-25(28)31-18-6-7-19-32-26(29)22-10-12-23(13-11-22)27(30)33-24-16-14-21(15-17-24)20-8-4-3-5-9-20;1-2-23(27)31-16-17-32-24(28)18-8-10-19(11-9-18)25(29)34-22-14-12-20(13-15-22)26(30)33-21-6-4-3-5-7-21;2*1-18(2)24(27)30-16-17-31-25(28)21-8-10-22(11-9-21)26(29)32-23-14-12-20(13-15-23)19-6-4-3-5-7-19;1-3-24(27)30-16-17-31-25(28)20-8-10-21(11-9-20)26(29)32-22-14-12-19(13-15-22)23-7-5-4-6-18(23)2;1-2-24(27)30-17-6-18-31-25(28)21-9-11-22(12-10-21)26(29)32-23-15-13-20(14-16-23)19-7-4-3-5-8-19;1-2-23(27)30-14-15-31-24(28)18-8-10-19(11-9-18)25(29)32-20-12-13-21(22(26)16-20)17-6-4-3-5-7-17;1-2-23(26)29-16-17-30-24(27)20-8-10-21(11-9-20)25(28)31-22-14-12-19(13-15-22)18-6-4-3-5-7-18/h3-5,8-9,14-17,23-24H,1,6-7,10-13,18-19H2,2H3;3-7,12-15,19-20H,1,8-11,16-17H2,2H3;4-9,16-17,21-22H,1,10-15H2,2-3H3;2-5,8-9,14-17,22-23H,1,6-7,10-13,18-19H2;2-7,12-15,18-19H,1,8-11,16-17H2;2*3-7,12-15,21-22H,1,8-11,16-17H2,2H3;3-7,12-15,20-21H,1,8-11,16-17H2,2H3;2-5,7-8,13-16,21-22H,1,6,9-12,17-18H2;2-7,12-13,16,18-19H,1,8-11,14-15H2;2-7,12-15,20-21H,1,8-11,16-17H2
InChIKeyPKJWCKNIQZODTK-UHFFFAOYSA-N
XLogP51.91
TPSA920.50 Ų
H-Bond Donors
H-Bond Acceptors70
Rotatable Bonds95
Heavy Atoms360
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004938.03
LogP ≤ 551.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1070

Analyze 4-O-(3-chloro-4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(3,5-dimethyl-4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-[4-(2-methylphenyl)phenyl] 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;1-O-[4-(2-methylprop-2-enoyloxy)butyl] 4-O-(4-phenylphenyl) cyclohexane-1,4-dicarboxylate;1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 4-O-(4-phenoxycarbonylphenyl) cyclohexane-1,4-dicarboxylate;bis(1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 4-O-(4-phenylphenyl) cyclohexane-1,4-dicarboxylate);4-O-(4-phenoxycarbonylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(4-prop-2-enoyloxybutyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(3-prop-2-enoyloxypropyl) cyclohexane-1,4-dicarboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-O-(3-chloro-4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(3,5-dimethyl-4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-[4-(2-methylphenyl)phenyl] 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;1-O-[4-(2-methylprop-2-enoyloxy)butyl] 4-O-(4-phenylphenyl) cyclohexane-1,4-dicarboxylate;1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 4-O-(4-phenoxycarbonylphenyl) cyclohexane-1,4-dicarboxylate;bis(1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 4-O-(4-phenylphenyl) cyclohexane-1,4-dicarboxylate);4-O-(4-phenoxycarbonylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(4-prop-2-enoyloxybutyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(3-prop-2-enoyloxypropyl) cyclohexane-1,4-dicarboxylate?
The IUPAC name of 4-O-(3-chloro-4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(3,5-dimethyl-4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-[4-(2-methylphenyl)phenyl] 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;1-O-[4-(2-methylprop-2-enoyloxy)butyl] 4-O-(4-phenylphenyl) cyclohexane-1,4-dicarboxylate;1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 4-O-(4-phenoxycarbonylphenyl) cyclohexane-1,4-dicarboxylate;bis(1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 4-O-(4-phenylphenyl) cyclohexane-1,4-dicarboxylate);4-O-(4-phenoxycarbonylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(4-prop-2-enoyloxybutyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(3-prop-2-enoyloxypropyl) cyclohexane-1,4-dicarboxylate (CID 163870527) is 4-O-(3-chloro-4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(3,5-dimethyl-4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-[4-(2-methylphenyl)phenyl] 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;1-O-[4-(2-methylprop-2-enoyloxy)butyl] 4-O-(4-phenylphenyl) cyclohexane-1,4-dicarboxylate;1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 4-O-(4-phenoxycarbonylphenyl) cyclohexane-1,4-dicarboxylate;bis(1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 4-O-(4-phenylphenyl) cyclohexane-1,4-dicarboxylate);4-O-(4-phenoxycarbonylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(4-prop-2-enoyloxybutyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(3-prop-2-enoyloxypropyl) cyclohexane-1,4-dicarboxylate.
What is the SMILES notation for 4-O-(3-chloro-4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(3,5-dimethyl-4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-[4-(2-methylphenyl)phenyl] 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;1-O-[4-(2-methylprop-2-enoyloxy)butyl] 4-O-(4-phenylphenyl) cyclohexane-1,4-dicarboxylate;1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 4-O-(4-phenoxycarbonylphenyl) cyclohexane-1,4-dicarboxylate;bis(1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 4-O-(4-phenylphenyl) cyclohexane-1,4-dicarboxylate);4-O-(4-phenoxycarbonylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(4-prop-2-enoyloxybutyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(3-prop-2-enoyloxypropyl) cyclohexane-1,4-dicarboxylate?
The canonical SMILES for 4-O-(3-chloro-4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(3,5-dimethyl-4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-[4-(2-methylphenyl)phenyl] 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;1-O-[4-(2-methylprop-2-enoyloxy)butyl] 4-O-(4-phenylphenyl) cyclohexane-1,4-dicarboxylate;1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 4-O-(4-phenoxycarbonylphenyl) cyclohexane-1,4-dicarboxylate;bis(1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 4-O-(4-phenylphenyl) cyclohexane-1,4-dicarboxylate);4-O-(4-phenoxycarbonylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(4-prop-2-enoyloxybutyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(3-prop-2-enoyloxypropyl) cyclohexane-1,4-dicarboxylate is C=C(C)C(=O)OCCCCOC(=O)C1CCC(C(=O)Oc2ccc(-c3ccccc3)cc2)CC1.C=C(C)C(=O)OCCOC(=O)C1CCC(C(=O)Oc2ccc(-c3ccccc3)cc2)CC1.C=C(C)C(=O)OCCOC(=O)C1CCC(C(=O)Oc2ccc(-c3ccccc3)cc2)CC1.C=C(C)C(=O)OCCOC(=O)C1CCC(C(=O)Oc2ccc(C(=O)Oc3ccccc3)cc2)CC1.C=CC(=O)OCCCCOC(=O)C1CCC(C(=O)Oc2ccc(-c3ccccc3)cc2)CC1.C=CC(=O)OCCCOC(=O)C1CCC(C(=O)Oc2ccc(-c3ccccc3)cc2)CC1.C=CC(=O)OCCOC(=O)C1CCC(C(=O)Oc2cc(C)c(-c3ccccc3)c(C)c2)CC1.C=CC(=O)OCCOC(=O)C1CCC(C(=O)Oc2ccc(-c3ccccc3)c(Cl)c2)CC1.C=CC(=O)OCCOC(=O)C1CCC(C(=O)Oc2ccc(-c3ccccc3)cc2)CC1.C=CC(=O)OCCOC(=O)C1CCC(C(=O)Oc2ccc(-c3ccccc3C)cc2)CC1.C=CC(=O)OCCOC(=O)C1CCC(C(=O)Oc2ccc(C(=O)Oc3ccccc3)cc2)CC1.
What is the InChIKey of 4-O-(3-chloro-4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(3,5-dimethyl-4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-[4-(2-methylphenyl)phenyl] 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;1-O-[4-(2-methylprop-2-enoyloxy)butyl] 4-O-(4-phenylphenyl) cyclohexane-1,4-dicarboxylate;1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 4-O-(4-phenoxycarbonylphenyl) cyclohexane-1,4-dicarboxylate;bis(1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 4-O-(4-phenylphenyl) cyclohexane-1,4-dicarboxylate);4-O-(4-phenoxycarbonylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(4-prop-2-enoyloxybutyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(3-prop-2-enoyloxypropyl) cyclohexane-1,4-dicarboxylate?
The InChIKey is PKJWCKNIQZODTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32O6.C27H28O8.2C27H30O6.C26H26O8.4C26H28O6.C25H25ClO6.C25H26O6/c1-20(2)26(29)32-18-6-7-19-33-27(30)23-10-12-24(13-11-23)28(31)34-25-16-14-22(15-17-25)21-8-4-3-5-9-21;1-18(2)24(28)32-16-17-33-25(29)19-8-10-20(11-9-19)26(30)35-23-14-12-21(13-15-23)27(31)34-22-6-4-3-5-7-22;1-4-24(28)31-14-15-32-26(29)21-10-12-22(13-11-21)27(30)33-23-16-18(2)25(19(3)17-23)20-8-6-5-7-9-20;1-2-25(28)31-18-6-7-19-32-26(29)22-10-12-23(13-11-22)27(30)33-24-16-14-21(15-17-24)20-8-4-3-5-9-20;1-2-23(27)31-16-17-32-24(28)18-8-10-19(11-9-18)25(29)34-22-14-12-20(13-15-22)26(30)33-21-6-4-3-5-7-21;2*1-18(2)24(27)30-16-17-31-25(28)21-8-10-22(11-9-21)26(29)32-23-14-12-20(13-15-23)19-6-4-3-5-7-19;1-3-24(27)30-16-17-31-25(28)20-8-10-21(11-9-20)26(29)32-22-14-12-19(13-15-22)23-7-5-4-6-18(23)2;1-2-24(27)30-17-6-18-31-25(28)21-9-11-22(12-10-21)26(29)32-23-15-13-20(14-16-23)19-7-4-3-5-8-19;1-2-23(27)30-14-15-31-24(28)18-8-10-19(11-9-18)25(29)32-20-12-13-21(22(26)16-20)17-6-4-3-5-7-17;1-2-23(26)29-16-17-30-24(27)20-8-10-21(11-9-20)25(28)31-22-14-12-19(13-15-22)18-6-4-3-5-7-18/h3-5,8-9,14-17,23-24H,1,6-7,10-13,18-19H2,2H3;3-7,12-15,19-20H,1,8-11,16-17H2,2H3;4-9,16-17,21-22H,1,10-15H2,2-3H3;2-5,8-9,14-17,22-23H,1,6-7,10-13,18-19H2;2-7,12-15,18-19H,1,8-11,16-17H2;2*3-7,12-15,21-22H,1,8-11,16-17H2,2H3;3-7,12-15,20-21H,1,8-11,16-17H2,2H3;2-5,7-8,13-16,21-22H,1,6,9-12,17-18H2;2-7,12-13,16,18-19H,1,8-11,14-15H2;2-7,12-15,20-21H,1,8-11,16-17H2.
What are the key properties of 4-O-(3-chloro-4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(3,5-dimethyl-4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-[4-(2-methylphenyl)phenyl] 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;1-O-[4-(2-methylprop-2-enoyloxy)butyl] 4-O-(4-phenylphenyl) cyclohexane-1,4-dicarboxylate;1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 4-O-(4-phenoxycarbonylphenyl) cyclohexane-1,4-dicarboxylate;bis(1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 4-O-(4-phenylphenyl) cyclohexane-1,4-dicarboxylate);4-O-(4-phenoxycarbonylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(4-prop-2-enoyloxybutyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(3-prop-2-enoyloxypropyl) cyclohexane-1,4-dicarboxylate?
4-O-(3-chloro-4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(3,5-dimethyl-4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-[4-(2-methylphenyl)phenyl] 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;1-O-[4-(2-methylprop-2-enoyloxy)butyl] 4-O-(4-phenylphenyl) cyclohexane-1,4-dicarboxylate;1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 4-O-(4-phenoxycarbonylphenyl) cyclohexane-1,4-dicarboxylate;bis(1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 4-O-(4-phenylphenyl) cyclohexane-1,4-dicarboxylate);4-O-(4-phenoxycarbonylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(4-prop-2-enoyloxybutyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(3-prop-2-enoyloxypropyl) cyclohexane-1,4-dicarboxylate has a molecular weight of 4938.03 g/mol, XLogP of 51.91, 95 rotatable bonds, 0 hydrogen bond donors, and 70 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-(3-chloro-4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(3,5-dimethyl-4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-[4-(2-methylphenyl)phenyl] 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;1-O-[4-(2-methylprop-2-enoyloxy)butyl] 4-O-(4-phenylphenyl) cyclohexane-1,4-dicarboxylate;1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 4-O-(4-phenoxycarbonylphenyl) cyclohexane-1,4-dicarboxylate;bis(1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 4-O-(4-phenylphenyl) cyclohexane-1,4-dicarboxylate);4-O-(4-phenoxycarbonylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(4-prop-2-enoyloxybutyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(2-prop-2-enoyloxyethyl) cyclohexane-1,4-dicarboxylate;4-O-(4-phenylphenyl) 1-O-(3-prop-2-enoyloxypropyl) cyclohexane-1,4-dicarboxylate is sourced from PubChem (CID 163870527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).