[3-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl] (E)-3-[4-(2-prop-2-enoyloxyethyl)phenyl]prop-2-enoate;2-[4-[(E)-3-(3-fluoro-4-prop-2-enoyloxyphenyl)prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;2-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;[4-[(E)-3-oxo-3-[4-(2-prop-2-enoyloxyethyl)phenoxy]prop-1-enyl]phenyl] 2-methylprop-2-enoate;[(E)-2-[4-(2-prop-2-enoyloxyethyl)phenyl]ethenyl] 3-fluoro-4-(4-prop-2-enoyloxyphenyl)benzoate;[(E)-2-[4-(2-prop-2-enoyloxyethyl)phenyl]ethenyl] 4-(4-prop-2-enoyloxyphenyl)benzoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(2-fluoro-4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)-2-propylphenyl] (2E,5Z,9Z)-4,7,8-trimethylidene-11-prop-2-enoyloxydodeca-2,5,9,11-tetraenoate

C238H210F4O54 — CID 161453336

IUPAC[3-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl] (E)-3-[4-(2-prop-2-enoyloxyethyl)phenyl]prop-2-enoate;2-[4-[(E)-3-(3-fluoro-4-prop-2-enoyloxyphenyl)prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;2-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;[4-[(E)-3-oxo-3-[4-(2-prop-2-enoyloxyethyl)phenoxy]prop-1-enyl]phenyl] 2-methylprop-2-enoate;[(E)-2-[4-(2-prop-2-enoyloxyethyl)phenyl]ethenyl] 3-fluoro-4-(4-prop-2-enoyloxyphenyl)benzoate;[(E)-2-[4-(2-prop-2-enoyloxyethyl)phenyl]ethenyl] 4-(4-prop-2-enoyloxyphenyl)benzoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(2-fluoro-4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)-2-propylphenyl] (2E,5Z,9Z)-4,7,8-trimethylidene-11-prop-2-enoyloxydodeca-2,5,9,11-tetraenoate
SMILESC=C(C)C(=O)OCCc1ccc(OC(=O)/C=C/c2ccc(OC(=O)C(=C)C)cc2)cc1.C=CC(=O)OCCc1ccc(/C=C/C(=O)Oc2ccc(-c3ccc(OC(=O)C=C)cc3)c(F)c2)cc1.C=CC(=O)OCCc1ccc(/C=C/OC(=O)c2ccc(-c3ccc(OC(=O)C=C)cc3)c(F)c2)cc1.C=CC(=O)OCCc1ccc(/C=C/OC(=O)c2ccc(-c3ccc(OC(=O)C=C)cc3)cc2)cc1.C=CC(=O)OCCc1ccc(OC(=O)/C=C/C(=C)/C=C\C(=C)C(=C)/C=C\C(=C)OC(=O)C=C)c(CCC)c1.C=CC(=O)OCCc1ccc(OC(=O)/C=C/c2ccc(OC(=O)C(=C)C)cc2)cc1.C=CC(=O)OCCc1ccc(OC(=O)/C=C/c2ccc(OC(=O)C=C)cc2)cc1.C=CC(=O)OCCc1ccc(OC(=O)/C=C/c2ccc(OC(=O)C=C)cc2F)cc1.C=CC(=O)Oc1ccc(/C=C/C(=O)Oc2ccc(CCOC(=O)C(=C)C)cc2)cc1F
InChIInChI=1S/C32H34O6.2C29H23FO6.C29H24O6.C25H24O6.C24H21FO6.C24H22O6.C23H19FO6.C23H20O6/c1-8-11-28-22-27(20-21-36-30(33)9-2)17-18-29(28)38-32(35)19-13-23(4)12-14-24(5)25(6)15-16-26(7)37-31(34)10-3;1-3-27(31)34-18-17-21-7-5-20(6-8-21)9-16-29(33)36-24-14-15-25(26(30)19-24)22-10-12-23(13-11-22)35-28(32)4-2;1-3-27(31)34-17-15-20-5-7-21(8-6-20)16-18-35-29(33)23-11-14-25(26(30)19-23)22-9-12-24(13-10-22)36-28(32)4-2;1-3-27(30)33-19-17-21-5-7-22(8-6-21)18-20-34-29(32)25-11-9-23(10-12-25)24-13-15-26(16-14-24)35-28(31)4-2;1-17(2)24(27)29-16-15-20-7-10-21(11-8-20)30-23(26)14-9-19-5-12-22(13-6-19)31-25(28)18(3)4;1-4-22(26)31-21-11-7-18(15-20(21)25)8-12-23(27)30-19-9-5-17(6-10-19)13-14-29-24(28)16(2)3;1-4-22(25)28-16-15-19-7-10-20(11-8-19)29-23(26)14-9-18-5-12-21(13-6-18)30-24(27)17(2)3;1-3-21(25)28-14-13-16-5-9-18(10-6-16)29-23(27)12-8-17-7-11-19(15-20(17)24)30-22(26)4-2;1-3-21(24)27-16-15-18-7-12-20(13-8-18)29-23(26)14-9-17-5-10-19(11-6-17)28-22(25)4-2/h9-10,12-19,22H,2-8,11,20-21H2,1H3;3-16,19H,1-2,17-18H2;3-14,16,18-19H,1-2,15,17H2;3-16,18,20H,1-2,17,19H2;5-14H,1,3,15-16H2,2,4H3;4-12,15H,1-2,13-14H2,3H3;4-14H,1-2,15-16H2,3H3;3-12,15H,1-2,13-14H2;3-14H,1-2,15-16H2/b14-12-,16-15-,19-13+;16-9+;18-16+;20-18+;14-9+;12-8+;14-9+;12-8+;14-9+
InChIKeyWAUZIYQIUYPWDD-KBTZPRMUSA-N
MW4010.24 g/mol
LogP43.28
Rot. Bonds91

About [3-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl] (E)-3-[4-(2-prop-2-enoyloxyethyl)phenyl]prop-2-enoate;2-[4-[(E)-3-(3-fluoro-4-prop-2-enoyloxyphenyl)prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;2-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;[4-[(E)-3-oxo-3-[4-(2-prop-2-enoyloxyethyl)phenoxy]prop-1-enyl]phenyl] 2-methylprop-2-enoate;[(E)-2-[4-(2-prop-2-enoyloxyethyl)phenyl]ethenyl] 3-fluoro-4-(4-prop-2-enoyloxyphenyl)benzoate;[(E)-2-[4-(2-prop-2-enoyloxyethyl)phenyl]ethenyl] 4-(4-prop-2-enoyloxyphenyl)benzoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(2-fluoro-4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)-2-propylphenyl] (2E,5Z,9Z)-4,7,8-trimethylidene-11-prop-2-enoyloxydodeca-2,5,9,11-tetraenoate

[3-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl] (E)-3-[4-(2-prop-2-enoyloxyethyl)phenyl]prop-2-enoate;2-[4-[(E)-3-(3-fluoro-4-prop-2-enoyloxyphenyl)prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;2-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;[4-[(E)-3-oxo-3-[4-(2-prop-2-enoyloxyethyl)phenoxy]prop-1-enyl]phenyl] 2-methylprop-2-enoate;[(E)-2-[4-(2-prop-2-enoyloxyethyl)phenyl]ethenyl] 3-fluoro-4-(4-prop-2-enoyloxyphenyl)benzoate;[(E)-2-[4-(2-prop-2-enoyloxyethyl)phenyl]ethenyl] 4-(4-prop-2-enoyloxyphenyl)benzoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(2-fluoro-4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)-2-propylphenyl] (2E,5Z,9Z)-4,7,8-trimethylidene-11-prop-2-enoyloxydodeca-2,5,9,11-tetraenoate (PubChem CID 161453336) has the molecular formula C238H210F4O54 and a molecular weight of 4010.24 g/mol. Its IUPAC name is [3-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl] (E)-3-[4-(2-prop-2-enoyloxyethyl)phenyl]prop-2-enoate;2-[4-[(E)-3-(3-fluoro-4-prop-2-enoyloxyphenyl)prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;2-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;[4-[(E)-3-oxo-3-[4-(2-prop-2-enoyloxyethyl)phenoxy]prop-1-enyl]phenyl] 2-methylprop-2-enoate;[(E)-2-[4-(2-prop-2-enoyloxyethyl)phenyl]ethenyl] 3-fluoro-4-(4-prop-2-enoyloxyphenyl)benzoate;[(E)-2-[4-(2-prop-2-enoyloxyethyl)phenyl]ethenyl] 4-(4-prop-2-enoyloxyphenyl)benzoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(2-fluoro-4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)-2-propylphenyl] (2E,5Z,9Z)-4,7,8-trimethylidene-11-prop-2-enoyloxydodeca-2,5,9,11-tetraenoate.

Molecular Properties

Compound Name[3-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl] (E)-3-[4-(2-prop-2-enoyloxyethyl)phenyl]prop-2-enoate;2-[4-[(E)-3-(3-fluoro-4-prop-2-enoyloxyphenyl)prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;2-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;[4-[(E)-3-oxo-3-[4-(2-prop-2-enoyloxyethyl)phenoxy]prop-1-enyl]phenyl] 2-methylprop-2-enoate;[(E)-2-[4-(2-prop-2-enoyloxyethyl)phenyl]ethenyl] 3-fluoro-4-(4-prop-2-enoyloxyphenyl)benzoate;[(E)-2-[4-(2-prop-2-enoyloxyethyl)phenyl]ethenyl] 4-(4-prop-2-enoyloxyphenyl)benzoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(2-fluoro-4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)-2-propylphenyl] (2E,5Z,9Z)-4,7,8-trimethylidene-11-prop-2-enoyloxydodeca-2,5,9,11-tetraenoate
PubChem CID161453336
Molecular FormulaC238H210F4O54
Molecular Weight4010.24 g/mol
Exact Mass4007.36
IUPAC Name[3-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl] (E)-3-[4-(2-prop-2-enoyloxyethyl)phenyl]prop-2-enoate;2-[4-[(E)-3-(3-fluoro-4-prop-2-enoyloxyphenyl)prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;2-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;[4-[(E)-3-oxo-3-[4-(2-prop-2-enoyloxyethyl)phenoxy]prop-1-enyl]phenyl] 2-methylprop-2-enoate;[(E)-2-[4-(2-prop-2-enoyloxyethyl)phenyl]ethenyl] 3-fluoro-4-(4-prop-2-enoyloxyphenyl)benzoate;[(E)-2-[4-(2-prop-2-enoyloxyethyl)phenyl]ethenyl] 4-(4-prop-2-enoyloxyphenyl)benzoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(2-fluoro-4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)-2-propylphenyl] (2E,5Z,9Z)-4,7,8-trimethylidene-11-prop-2-enoyloxydodeca-2,5,9,11-tetraenoate
SMILESC=C(C)C(=O)OCCc1ccc(OC(=O)/C=C/c2ccc(OC(=O)C(=C)C)cc2)cc1.C=CC(=O)OCCc1ccc(/C=C/C(=O)Oc2ccc(-c3ccc(OC(=O)C=C)cc3)c(F)c2)cc1.C=CC(=O)OCCc1ccc(/C=C/OC(=O)c2ccc(-c3ccc(OC(=O)C=C)cc3)c(F)c2)cc1.C=CC(=O)OCCc1ccc(/C=C/OC(=O)c2ccc(-c3ccc(OC(=O)C=C)cc3)cc2)cc1.C=CC(=O)OCCc1ccc(OC(=O)/C=C/C(=C)/C=C\C(=C)C(=C)/C=C\C(=C)OC(=O)C=C)c(CCC)c1.C=CC(=O)OCCc1ccc(OC(=O)/C=C/c2ccc(OC(=O)C(=C)C)cc2)cc1.C=CC(=O)OCCc1ccc(OC(=O)/C=C/c2ccc(OC(=O)C=C)cc2)cc1.C=CC(=O)OCCc1ccc(OC(=O)/C=C/c2ccc(OC(=O)C=C)cc2F)cc1.C=CC(=O)Oc1ccc(/C=C/C(=O)Oc2ccc(CCOC(=O)C(=C)C)cc2)cc1F
InChIInChI=1S/C32H34O6.2C29H23FO6.C29H24O6.C25H24O6.C24H21FO6.C24H22O6.C23H19FO6.C23H20O6/c1-8-11-28-22-27(20-21-36-30(33)9-2)17-18-29(28)38-32(35)19-13-23(4)12-14-24(5)25(6)15-16-26(7)37-31(34)10-3;1-3-27(31)34-18-17-21-7-5-20(6-8-21)9-16-29(33)36-24-14-15-25(26(30)19-24)22-10-12-23(13-11-22)35-28(32)4-2;1-3-27(31)34-17-15-20-5-7-21(8-6-20)16-18-35-29(33)23-11-14-25(26(30)19-23)22-9-12-24(13-10-22)36-28(32)4-2;1-3-27(30)33-19-17-21-5-7-22(8-6-21)18-20-34-29(32)25-11-9-23(10-12-25)24-13-15-26(16-14-24)35-28(31)4-2;1-17(2)24(27)29-16-15-20-7-10-21(11-8-20)30-23(26)14-9-19-5-12-22(13-6-19)31-25(28)18(3)4;1-4-22(26)31-21-11-7-18(15-20(21)25)8-12-23(27)30-19-9-5-17(6-10-19)13-14-29-24(28)16(2)3;1-4-22(25)28-16-15-19-7-10-20(11-8-19)29-23(26)14-9-18-5-12-21(13-6-18)30-24(27)17(2)3;1-3-21(25)28-14-13-16-5-9-18(10-6-16)29-23(27)12-8-17-7-11-19(15-20(17)24)30-22(26)4-2;1-3-21(24)27-16-15-18-7-12-20(13-8-18)29-23(26)14-9-17-5-10-19(11-6-17)28-22(25)4-2/h9-10,12-19,22H,2-8,11,20-21H2,1H3;3-16,19H,1-2,17-18H2;3-14,16,18-19H,1-2,15,17H2;3-16,18,20H,1-2,17,19H2;5-14H,1,3,15-16H2,2,4H3;4-12,15H,1-2,13-14H2,3H3;4-14H,1-2,15-16H2,3H3;3-12,15H,1-2,13-14H2;3-14H,1-2,15-16H2/b14-12-,16-15-,19-13+;16-9+;18-16+;20-18+;14-9+;12-8+;14-9+;12-8+;14-9+
InChIKeyWAUZIYQIUYPWDD-KBTZPRMUSA-N
XLogP43.28
TPSA710.10 Ų
H-Bond Donors
H-Bond Acceptors54
Rotatable Bonds91
Heavy Atoms296
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004010.24
LogP ≤ 543.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1054

Analyze [3-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl] (E)-3-[4-(2-prop-2-enoyloxyethyl)phenyl]prop-2-enoate;2-[4-[(E)-3-(3-fluoro-4-prop-2-enoyloxyphenyl)prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;2-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;[4-[(E)-3-oxo-3-[4-(2-prop-2-enoyloxyethyl)phenoxy]prop-1-enyl]phenyl] 2-methylprop-2-enoate;[(E)-2-[4-(2-prop-2-enoyloxyethyl)phenyl]ethenyl] 3-fluoro-4-(4-prop-2-enoyloxyphenyl)benzoate;[(E)-2-[4-(2-prop-2-enoyloxyethyl)phenyl]ethenyl] 4-(4-prop-2-enoyloxyphenyl)benzoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(2-fluoro-4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)-2-propylphenyl] (2E,5Z,9Z)-4,7,8-trimethylidene-11-prop-2-enoyloxydodeca-2,5,9,11-tetraenoate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl] (E)-3-[4-(2-prop-2-enoyloxyethyl)phenyl]prop-2-enoate;2-[4-[(E)-3-(3-fluoro-4-prop-2-enoyloxyphenyl)prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;2-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;[4-[(E)-3-oxo-3-[4-(2-prop-2-enoyloxyethyl)phenoxy]prop-1-enyl]phenyl] 2-methylprop-2-enoate;[(E)-2-[4-(2-prop-2-enoyloxyethyl)phenyl]ethenyl] 3-fluoro-4-(4-prop-2-enoyloxyphenyl)benzoate;[(E)-2-[4-(2-prop-2-enoyloxyethyl)phenyl]ethenyl] 4-(4-prop-2-enoyloxyphenyl)benzoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(2-fluoro-4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)-2-propylphenyl] (2E,5Z,9Z)-4,7,8-trimethylidene-11-prop-2-enoyloxydodeca-2,5,9,11-tetraenoate?
The IUPAC name of [3-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl] (E)-3-[4-(2-prop-2-enoyloxyethyl)phenyl]prop-2-enoate;2-[4-[(E)-3-(3-fluoro-4-prop-2-enoyloxyphenyl)prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;2-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;[4-[(E)-3-oxo-3-[4-(2-prop-2-enoyloxyethyl)phenoxy]prop-1-enyl]phenyl] 2-methylprop-2-enoate;[(E)-2-[4-(2-prop-2-enoyloxyethyl)phenyl]ethenyl] 3-fluoro-4-(4-prop-2-enoyloxyphenyl)benzoate;[(E)-2-[4-(2-prop-2-enoyloxyethyl)phenyl]ethenyl] 4-(4-prop-2-enoyloxyphenyl)benzoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(2-fluoro-4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)-2-propylphenyl] (2E,5Z,9Z)-4,7,8-trimethylidene-11-prop-2-enoyloxydodeca-2,5,9,11-tetraenoate (CID 161453336) is [3-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl] (E)-3-[4-(2-prop-2-enoyloxyethyl)phenyl]prop-2-enoate;2-[4-[(E)-3-(3-fluoro-4-prop-2-enoyloxyphenyl)prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;2-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;[4-[(E)-3-oxo-3-[4-(2-prop-2-enoyloxyethyl)phenoxy]prop-1-enyl]phenyl] 2-methylprop-2-enoate;[(E)-2-[4-(2-prop-2-enoyloxyethyl)phenyl]ethenyl] 3-fluoro-4-(4-prop-2-enoyloxyphenyl)benzoate;[(E)-2-[4-(2-prop-2-enoyloxyethyl)phenyl]ethenyl] 4-(4-prop-2-enoyloxyphenyl)benzoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(2-fluoro-4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)-2-propylphenyl] (2E,5Z,9Z)-4,7,8-trimethylidene-11-prop-2-enoyloxydodeca-2,5,9,11-tetraenoate.
What is the SMILES notation for [3-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl] (E)-3-[4-(2-prop-2-enoyloxyethyl)phenyl]prop-2-enoate;2-[4-[(E)-3-(3-fluoro-4-prop-2-enoyloxyphenyl)prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;2-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;[4-[(E)-3-oxo-3-[4-(2-prop-2-enoyloxyethyl)phenoxy]prop-1-enyl]phenyl] 2-methylprop-2-enoate;[(E)-2-[4-(2-prop-2-enoyloxyethyl)phenyl]ethenyl] 3-fluoro-4-(4-prop-2-enoyloxyphenyl)benzoate;[(E)-2-[4-(2-prop-2-enoyloxyethyl)phenyl]ethenyl] 4-(4-prop-2-enoyloxyphenyl)benzoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(2-fluoro-4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)-2-propylphenyl] (2E,5Z,9Z)-4,7,8-trimethylidene-11-prop-2-enoyloxydodeca-2,5,9,11-tetraenoate?
The canonical SMILES for [3-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl] (E)-3-[4-(2-prop-2-enoyloxyethyl)phenyl]prop-2-enoate;2-[4-[(E)-3-(3-fluoro-4-prop-2-enoyloxyphenyl)prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;2-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;[4-[(E)-3-oxo-3-[4-(2-prop-2-enoyloxyethyl)phenoxy]prop-1-enyl]phenyl] 2-methylprop-2-enoate;[(E)-2-[4-(2-prop-2-enoyloxyethyl)phenyl]ethenyl] 3-fluoro-4-(4-prop-2-enoyloxyphenyl)benzoate;[(E)-2-[4-(2-prop-2-enoyloxyethyl)phenyl]ethenyl] 4-(4-prop-2-enoyloxyphenyl)benzoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(2-fluoro-4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)-2-propylphenyl] (2E,5Z,9Z)-4,7,8-trimethylidene-11-prop-2-enoyloxydodeca-2,5,9,11-tetraenoate is C=C(C)C(=O)OCCc1ccc(OC(=O)/C=C/c2ccc(OC(=O)C(=C)C)cc2)cc1.C=CC(=O)OCCc1ccc(/C=C/C(=O)Oc2ccc(-c3ccc(OC(=O)C=C)cc3)c(F)c2)cc1.C=CC(=O)OCCc1ccc(/C=C/OC(=O)c2ccc(-c3ccc(OC(=O)C=C)cc3)c(F)c2)cc1.C=CC(=O)OCCc1ccc(/C=C/OC(=O)c2ccc(-c3ccc(OC(=O)C=C)cc3)cc2)cc1.C=CC(=O)OCCc1ccc(OC(=O)/C=C/C(=C)/C=C\C(=C)C(=C)/C=C\C(=C)OC(=O)C=C)c(CCC)c1.C=CC(=O)OCCc1ccc(OC(=O)/C=C/c2ccc(OC(=O)C(=C)C)cc2)cc1.C=CC(=O)OCCc1ccc(OC(=O)/C=C/c2ccc(OC(=O)C=C)cc2)cc1.C=CC(=O)OCCc1ccc(OC(=O)/C=C/c2ccc(OC(=O)C=C)cc2F)cc1.C=CC(=O)Oc1ccc(/C=C/C(=O)Oc2ccc(CCOC(=O)C(=C)C)cc2)cc1F.
What is the InChIKey of [3-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl] (E)-3-[4-(2-prop-2-enoyloxyethyl)phenyl]prop-2-enoate;2-[4-[(E)-3-(3-fluoro-4-prop-2-enoyloxyphenyl)prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;2-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;[4-[(E)-3-oxo-3-[4-(2-prop-2-enoyloxyethyl)phenoxy]prop-1-enyl]phenyl] 2-methylprop-2-enoate;[(E)-2-[4-(2-prop-2-enoyloxyethyl)phenyl]ethenyl] 3-fluoro-4-(4-prop-2-enoyloxyphenyl)benzoate;[(E)-2-[4-(2-prop-2-enoyloxyethyl)phenyl]ethenyl] 4-(4-prop-2-enoyloxyphenyl)benzoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(2-fluoro-4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)-2-propylphenyl] (2E,5Z,9Z)-4,7,8-trimethylidene-11-prop-2-enoyloxydodeca-2,5,9,11-tetraenoate?
The InChIKey is WAUZIYQIUYPWDD-KBTZPRMUSA-N. The full InChI is InChI=1S/C32H34O6.2C29H23FO6.C29H24O6.C25H24O6.C24H21FO6.C24H22O6.C23H19FO6.C23H20O6/c1-8-11-28-22-27(20-21-36-30(33)9-2)17-18-29(28)38-32(35)19-13-23(4)12-14-24(5)25(6)15-16-26(7)37-31(34)10-3;1-3-27(31)34-18-17-21-7-5-20(6-8-21)9-16-29(33)36-24-14-15-25(26(30)19-24)22-10-12-23(13-11-22)35-28(32)4-2;1-3-27(31)34-17-15-20-5-7-21(8-6-20)16-18-35-29(33)23-11-14-25(26(30)19-23)22-9-12-24(13-10-22)36-28(32)4-2;1-3-27(30)33-19-17-21-5-7-22(8-6-21)18-20-34-29(32)25-11-9-23(10-12-25)24-13-15-26(16-14-24)35-28(31)4-2;1-17(2)24(27)29-16-15-20-7-10-21(11-8-20)30-23(26)14-9-19-5-12-22(13-6-19)31-25(28)18(3)4;1-4-22(26)31-21-11-7-18(15-20(21)25)8-12-23(27)30-19-9-5-17(6-10-19)13-14-29-24(28)16(2)3;1-4-22(25)28-16-15-19-7-10-20(11-8-19)29-23(26)14-9-18-5-12-21(13-6-18)30-24(27)17(2)3;1-3-21(25)28-14-13-16-5-9-18(10-6-16)29-23(27)12-8-17-7-11-19(15-20(17)24)30-22(26)4-2;1-3-21(24)27-16-15-18-7-12-20(13-8-18)29-23(26)14-9-17-5-10-19(11-6-17)28-22(25)4-2/h9-10,12-19,22H,2-8,11,20-21H2,1H3;3-16,19H,1-2,17-18H2;3-14,16,18-19H,1-2,15,17H2;3-16,18,20H,1-2,17,19H2;5-14H,1,3,15-16H2,2,4H3;4-12,15H,1-2,13-14H2,3H3;4-14H,1-2,15-16H2,3H3;3-12,15H,1-2,13-14H2;3-14H,1-2,15-16H2/b14-12-,16-15-,19-13+;16-9+;18-16+;20-18+;14-9+;12-8+;14-9+;12-8+;14-9+.
What are the key properties of [3-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl] (E)-3-[4-(2-prop-2-enoyloxyethyl)phenyl]prop-2-enoate;2-[4-[(E)-3-(3-fluoro-4-prop-2-enoyloxyphenyl)prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;2-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;[4-[(E)-3-oxo-3-[4-(2-prop-2-enoyloxyethyl)phenoxy]prop-1-enyl]phenyl] 2-methylprop-2-enoate;[(E)-2-[4-(2-prop-2-enoyloxyethyl)phenyl]ethenyl] 3-fluoro-4-(4-prop-2-enoyloxyphenyl)benzoate;[(E)-2-[4-(2-prop-2-enoyloxyethyl)phenyl]ethenyl] 4-(4-prop-2-enoyloxyphenyl)benzoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(2-fluoro-4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)-2-propylphenyl] (2E,5Z,9Z)-4,7,8-trimethylidene-11-prop-2-enoyloxydodeca-2,5,9,11-tetraenoate?
[3-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl] (E)-3-[4-(2-prop-2-enoyloxyethyl)phenyl]prop-2-enoate;2-[4-[(E)-3-(3-fluoro-4-prop-2-enoyloxyphenyl)prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;2-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;[4-[(E)-3-oxo-3-[4-(2-prop-2-enoyloxyethyl)phenoxy]prop-1-enyl]phenyl] 2-methylprop-2-enoate;[(E)-2-[4-(2-prop-2-enoyloxyethyl)phenyl]ethenyl] 3-fluoro-4-(4-prop-2-enoyloxyphenyl)benzoate;[(E)-2-[4-(2-prop-2-enoyloxyethyl)phenyl]ethenyl] 4-(4-prop-2-enoyloxyphenyl)benzoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(2-fluoro-4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)-2-propylphenyl] (2E,5Z,9Z)-4,7,8-trimethylidene-11-prop-2-enoyloxydodeca-2,5,9,11-tetraenoate has a molecular weight of 4010.24 g/mol, XLogP of 43.28, 91 rotatable bonds, 0 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl] (E)-3-[4-(2-prop-2-enoyloxyethyl)phenyl]prop-2-enoate;2-[4-[(E)-3-(3-fluoro-4-prop-2-enoyloxyphenyl)prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;2-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;[4-[(E)-3-oxo-3-[4-(2-prop-2-enoyloxyethyl)phenoxy]prop-1-enyl]phenyl] 2-methylprop-2-enoate;[(E)-2-[4-(2-prop-2-enoyloxyethyl)phenyl]ethenyl] 3-fluoro-4-(4-prop-2-enoyloxyphenyl)benzoate;[(E)-2-[4-(2-prop-2-enoyloxyethyl)phenyl]ethenyl] 4-(4-prop-2-enoyloxyphenyl)benzoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(2-fluoro-4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)-2-propylphenyl] (2E,5Z,9Z)-4,7,8-trimethylidene-11-prop-2-enoyloxydodeca-2,5,9,11-tetraenoate is sourced from PubChem (CID 161453336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).