4-[(Z)-1-[4-[2-(aziridin-1-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;tert-butyl 3-[4-[(E)-5-hydroxy-1-(4-hydroxyphenyl)-2-phenylpent-1-enyl]phenyl]azetidine-1-carboxylate;4-[(E)-1-(4-cyclobutylphenyl)-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[3-[(2R)-1-methylaziridin-2-yl]propoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[3-[(1S)-2-methylcyclopropyl]propoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pent-1-enyl]phenol

C350H397N11O37 — CID 167587220

IUPAC4-[(Z)-1-[4-[2-(aziridin-1-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;tert-butyl 3-[4-[(E)-5-hydroxy-1-(4-hydroxyphenyl)-2-phenylpent-1-enyl]phenyl]azetidine-1-carboxylate;4-[(E)-1-(4-cyclobutylphenyl)-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[3-[(2R)-1-methylaziridin-2-yl]propoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[3-[(1S)-2-methylcyclopropyl]propoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pent-1-enyl]phenol
SMILESCC(C)(C)OC(=O)N1CC(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(O)cc3)cc2)C1.CC1C[C@@H]1CCCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1.CN1CCCC1CCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1.CN1CCC[C@@H]1COc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1.CN1CCC[C@H]1COc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1.CN1CCN(CCOc2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(O)cc3)cc2)CC1.CN1C[C@H]1CCCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1.OCCC/C(=C(\c1ccc(O)cc1)c1ccc(C2CCC2)cc1)c1ccccc1.OCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CC2)cc1)c1ccccc1.OCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CCCC2)cc1)c1ccccc1.OCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1)c1ccccc1.OCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C31H35NO4.C30H36N2O3.2C30H35NO3.C30H34O3.C29H33NO4.4C29H33NO3.C27H29NO3.C27H28O2/c1-31(2,3)36-30(35)32-20-26(21-32)22-11-13-24(14-12-22)29(25-15-17-27(34)18-16-25)28(10-7-19-33)23-8-5-4-6-9-23;1-31-17-19-32(20-18-31)21-23-35-28-15-11-26(12-16-28)30(25-9-13-27(34)14-10-25)29(8-5-22-33)24-6-3-2-4-7-24;1-31-20-5-9-26(31)19-22-34-28-17-13-25(14-18-28)30(24-11-15-27(33)16-12-24)29(10-6-21-32)23-7-3-2-4-8-23;32-22-7-10-29(24-8-3-1-4-9-24)30(25-11-15-27(33)16-12-25)26-13-17-28(18-14-26)34-23-21-31-19-5-2-6-20-31;1-22-21-26(22)9-6-20-33-28-17-13-25(14-18-28)30(24-11-15-27(32)16-12-24)29(10-5-19-31)23-7-3-2-4-8-23;31-19-4-7-28(23-5-2-1-3-6-23)29(24-8-12-26(32)13-9-24)25-10-14-27(15-11-25)34-22-18-30-16-20-33-21-17-30;1-30-21-25(30)9-6-20-33-27-17-13-24(14-18-27)29(23-11-15-26(32)16-12-23)28(10-5-19-31)22-7-3-2-4-8-22;2*1-30-19-5-9-25(30)21-33-27-17-13-24(14-18-27)29(23-11-15-26(32)16-12-23)28(10-6-20-31)22-7-3-2-4-8-22;31-21-6-9-28(23-7-2-1-3-8-23)29(24-10-14-26(32)15-11-24)25-12-16-27(17-13-25)33-22-20-30-18-4-5-19-30;29-19-4-7-26(21-5-2-1-3-6-21)27(22-8-12-24(30)13-9-22)23-10-14-25(15-11-23)31-20-18-28-16-17-28;28-19-5-10-26(22-6-2-1-3-7-22)27(24-15-17-25(29)18-16-24)23-13-11-21(12-14-23)20-8-4-9-20/h4-6,8-9,11-18,26,33-34H,7,10,19-21H2,1-3H3;2-4,6-7,9-16,33-34H,5,8,17-23H2,1H3;2-4,7-8,11-18,26,32-33H,5-6,9-10,19-22H2,1H3;1,3-4,8-9,11-18,32-33H,2,5-7,10,19-23H2;2-4,7-8,11-18,22,26,31-32H,5-6,9-10,19-21H2,1H3;1-3,5-6,8-15,31-32H,4,7,16-22H2;3*2-4,7-8,11-18,25,31-32H,5-6,9-10,19-21H2,1H3;1-3,7-8,10-17,31-32H,4-6,9,18-22H2;1-3,5-6,8-15,29-30H,4,7,16-20H2;1-3,6-7,11-18,20,28-29H,4-5,8-10,19H2/b29-28+;4*30-29-;5*29-28-;27-26-;27-26+/t;;;;22?,26-;;25-,30?;2*25-;;;/m....0.110.../s1
InChIKeyHYOOXHHRFPUUMM-DESPKBAESA-N
MW5350.07 g/mol
LogP68.56
Rot. Bonds114

About 4-[(Z)-1-[4-[2-(aziridin-1-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;tert-butyl 3-[4-[(E)-5-hydroxy-1-(4-hydroxyphenyl)-2-phenylpent-1-enyl]phenyl]azetidine-1-carboxylate;4-[(E)-1-(4-cyclobutylphenyl)-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[3-[(2R)-1-methylaziridin-2-yl]propoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[3-[(1S)-2-methylcyclopropyl]propoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pent-1-enyl]phenol

4-[(Z)-1-[4-[2-(aziridin-1-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;tert-butyl 3-[4-[(E)-5-hydroxy-1-(4-hydroxyphenyl)-2-phenylpent-1-enyl]phenyl]azetidine-1-carboxylate;4-[(E)-1-(4-cyclobutylphenyl)-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[3-[(2R)-1-methylaziridin-2-yl]propoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[3-[(1S)-2-methylcyclopropyl]propoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pent-1-enyl]phenol (PubChem CID 167587220) has the molecular formula C350H397N11O37 and a molecular weight of 5350.07 g/mol. Its IUPAC name is 4-[(Z)-1-[4-[2-(aziridin-1-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;tert-butyl 3-[4-[(E)-5-hydroxy-1-(4-hydroxyphenyl)-2-phenylpent-1-enyl]phenyl]azetidine-1-carboxylate;4-[(E)-1-(4-cyclobutylphenyl)-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[3-[(2R)-1-methylaziridin-2-yl]propoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[3-[(1S)-2-methylcyclopropyl]propoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pent-1-enyl]phenol.

Molecular Properties

Compound Name4-[(Z)-1-[4-[2-(aziridin-1-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;tert-butyl 3-[4-[(E)-5-hydroxy-1-(4-hydroxyphenyl)-2-phenylpent-1-enyl]phenyl]azetidine-1-carboxylate;4-[(E)-1-(4-cyclobutylphenyl)-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[3-[(2R)-1-methylaziridin-2-yl]propoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[3-[(1S)-2-methylcyclopropyl]propoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pent-1-enyl]phenol
PubChem CID167587220
Molecular FormulaC350H397N11O37
Molecular Weight5350.07 g/mol
Exact Mass5345.95
IUPAC Name4-[(Z)-1-[4-[2-(aziridin-1-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;tert-butyl 3-[4-[(E)-5-hydroxy-1-(4-hydroxyphenyl)-2-phenylpent-1-enyl]phenyl]azetidine-1-carboxylate;4-[(E)-1-(4-cyclobutylphenyl)-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[3-[(2R)-1-methylaziridin-2-yl]propoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[3-[(1S)-2-methylcyclopropyl]propoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pent-1-enyl]phenol
SMILESCC(C)(C)OC(=O)N1CC(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(O)cc3)cc2)C1.CC1C[C@@H]1CCCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1.CN1CCCC1CCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1.CN1CCC[C@@H]1COc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1.CN1CCC[C@H]1COc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1.CN1CCN(CCOc2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(O)cc3)cc2)CC1.CN1C[C@H]1CCCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1.OCCC/C(=C(\c1ccc(O)cc1)c1ccc(C2CCC2)cc1)c1ccccc1.OCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CC2)cc1)c1ccccc1.OCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CCCC2)cc1)c1ccccc1.OCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1)c1ccccc1.OCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C31H35NO4.C30H36N2O3.2C30H35NO3.C30H34O3.C29H33NO4.4C29H33NO3.C27H29NO3.C27H28O2/c1-31(2,3)36-30(35)32-20-26(21-32)22-11-13-24(14-12-22)29(25-15-17-27(34)18-16-25)28(10-7-19-33)23-8-5-4-6-9-23;1-31-17-19-32(20-18-31)21-23-35-28-15-11-26(12-16-28)30(25-9-13-27(34)14-10-25)29(8-5-22-33)24-6-3-2-4-7-24;1-31-20-5-9-26(31)19-22-34-28-17-13-25(14-18-28)30(24-11-15-27(33)16-12-24)29(10-6-21-32)23-7-3-2-4-8-23;32-22-7-10-29(24-8-3-1-4-9-24)30(25-11-15-27(33)16-12-25)26-13-17-28(18-14-26)34-23-21-31-19-5-2-6-20-31;1-22-21-26(22)9-6-20-33-28-17-13-25(14-18-28)30(24-11-15-27(32)16-12-24)29(10-5-19-31)23-7-3-2-4-8-23;31-19-4-7-28(23-5-2-1-3-6-23)29(24-8-12-26(32)13-9-24)25-10-14-27(15-11-25)34-22-18-30-16-20-33-21-17-30;1-30-21-25(30)9-6-20-33-27-17-13-24(14-18-27)29(23-11-15-26(32)16-12-23)28(10-5-19-31)22-7-3-2-4-8-22;2*1-30-19-5-9-25(30)21-33-27-17-13-24(14-18-27)29(23-11-15-26(32)16-12-23)28(10-6-20-31)22-7-3-2-4-8-22;31-21-6-9-28(23-7-2-1-3-8-23)29(24-10-14-26(32)15-11-24)25-12-16-27(17-13-25)33-22-20-30-18-4-5-19-30;29-19-4-7-26(21-5-2-1-3-6-21)27(22-8-12-24(30)13-9-22)23-10-14-25(15-11-23)31-20-18-28-16-17-28;28-19-5-10-26(22-6-2-1-3-7-22)27(24-15-17-25(29)18-16-24)23-13-11-21(12-14-23)20-8-4-9-20/h4-6,8-9,11-18,26,33-34H,7,10,19-21H2,1-3H3;2-4,6-7,9-16,33-34H,5,8,17-23H2,1H3;2-4,7-8,11-18,26,32-33H,5-6,9-10,19-22H2,1H3;1,3-4,8-9,11-18,32-33H,2,5-7,10,19-23H2;2-4,7-8,11-18,22,26,31-32H,5-6,9-10,19-21H2,1H3;1-3,5-6,8-15,31-32H,4,7,16-22H2;3*2-4,7-8,11-18,25,31-32H,5-6,9-10,19-21H2,1H3;1-3,7-8,10-17,31-32H,4-6,9,18-22H2;1-3,5-6,8-15,29-30H,4,7,16-20H2;1-3,6-7,11-18,20,28-29H,4-5,8-10,19H2/b29-28+;4*30-29-;5*29-28-;27-26-;27-26+/t;;;;22?,26-;;25-,30?;2*25-;;;/m....0.110.../s1
InChIKeyHYOOXHHRFPUUMM-DESPKBAESA-N
XLogP68.56
TPSA648.53 Ų
H-Bond Donors24
H-Bond Acceptors47
Rotatable Bonds114
Heavy Atoms398
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005350.07
LogP ≤ 568.56
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1047

Analyze 4-[(Z)-1-[4-[2-(aziridin-1-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;tert-butyl 3-[4-[(E)-5-hydroxy-1-(4-hydroxyphenyl)-2-phenylpent-1-enyl]phenyl]azetidine-1-carboxylate;4-[(E)-1-(4-cyclobutylphenyl)-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[3-[(2R)-1-methylaziridin-2-yl]propoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[3-[(1S)-2-methylcyclopropyl]propoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pent-1-enyl]phenol with MolForge

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What is the IUPAC name of 4-[(Z)-1-[4-[2-(aziridin-1-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;tert-butyl 3-[4-[(E)-5-hydroxy-1-(4-hydroxyphenyl)-2-phenylpent-1-enyl]phenyl]azetidine-1-carboxylate;4-[(E)-1-(4-cyclobutylphenyl)-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[3-[(2R)-1-methylaziridin-2-yl]propoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[3-[(1S)-2-methylcyclopropyl]propoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pent-1-enyl]phenol?
The IUPAC name of 4-[(Z)-1-[4-[2-(aziridin-1-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;tert-butyl 3-[4-[(E)-5-hydroxy-1-(4-hydroxyphenyl)-2-phenylpent-1-enyl]phenyl]azetidine-1-carboxylate;4-[(E)-1-(4-cyclobutylphenyl)-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[3-[(2R)-1-methylaziridin-2-yl]propoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[3-[(1S)-2-methylcyclopropyl]propoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pent-1-enyl]phenol (CID 167587220) is 4-[(Z)-1-[4-[2-(aziridin-1-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;tert-butyl 3-[4-[(E)-5-hydroxy-1-(4-hydroxyphenyl)-2-phenylpent-1-enyl]phenyl]azetidine-1-carboxylate;4-[(E)-1-(4-cyclobutylphenyl)-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[3-[(2R)-1-methylaziridin-2-yl]propoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[3-[(1S)-2-methylcyclopropyl]propoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pent-1-enyl]phenol.
What is the SMILES notation for 4-[(Z)-1-[4-[2-(aziridin-1-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;tert-butyl 3-[4-[(E)-5-hydroxy-1-(4-hydroxyphenyl)-2-phenylpent-1-enyl]phenyl]azetidine-1-carboxylate;4-[(E)-1-(4-cyclobutylphenyl)-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[3-[(2R)-1-methylaziridin-2-yl]propoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[3-[(1S)-2-methylcyclopropyl]propoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pent-1-enyl]phenol?
The canonical SMILES for 4-[(Z)-1-[4-[2-(aziridin-1-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;tert-butyl 3-[4-[(E)-5-hydroxy-1-(4-hydroxyphenyl)-2-phenylpent-1-enyl]phenyl]azetidine-1-carboxylate;4-[(E)-1-(4-cyclobutylphenyl)-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[3-[(2R)-1-methylaziridin-2-yl]propoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[3-[(1S)-2-methylcyclopropyl]propoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pent-1-enyl]phenol is CC(C)(C)OC(=O)N1CC(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(O)cc3)cc2)C1.CC1C[C@@H]1CCCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1.CN1CCCC1CCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1.CN1CCC[C@@H]1COc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1.CN1CCC[C@H]1COc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1.CN1CCN(CCOc2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(O)cc3)cc2)CC1.CN1C[C@H]1CCCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1.OCCC/C(=C(\c1ccc(O)cc1)c1ccc(C2CCC2)cc1)c1ccccc1.OCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CC2)cc1)c1ccccc1.OCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CCCC2)cc1)c1ccccc1.OCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1)c1ccccc1.OCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CCOCC2)cc1)c1ccccc1.
What is the InChIKey of 4-[(Z)-1-[4-[2-(aziridin-1-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;tert-butyl 3-[4-[(E)-5-hydroxy-1-(4-hydroxyphenyl)-2-phenylpent-1-enyl]phenyl]azetidine-1-carboxylate;4-[(E)-1-(4-cyclobutylphenyl)-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[3-[(2R)-1-methylaziridin-2-yl]propoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[3-[(1S)-2-methylcyclopropyl]propoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pent-1-enyl]phenol?
The InChIKey is HYOOXHHRFPUUMM-DESPKBAESA-N. The full InChI is InChI=1S/C31H35NO4.C30H36N2O3.2C30H35NO3.C30H34O3.C29H33NO4.4C29H33NO3.C27H29NO3.C27H28O2/c1-31(2,3)36-30(35)32-20-26(21-32)22-11-13-24(14-12-22)29(25-15-17-27(34)18-16-25)28(10-7-19-33)23-8-5-4-6-9-23;1-31-17-19-32(20-18-31)21-23-35-28-15-11-26(12-16-28)30(25-9-13-27(34)14-10-25)29(8-5-22-33)24-6-3-2-4-7-24;1-31-20-5-9-26(31)19-22-34-28-17-13-25(14-18-28)30(24-11-15-27(33)16-12-24)29(10-6-21-32)23-7-3-2-4-8-23;32-22-7-10-29(24-8-3-1-4-9-24)30(25-11-15-27(33)16-12-25)26-13-17-28(18-14-26)34-23-21-31-19-5-2-6-20-31;1-22-21-26(22)9-6-20-33-28-17-13-25(14-18-28)30(24-11-15-27(32)16-12-24)29(10-5-19-31)23-7-3-2-4-8-23;31-19-4-7-28(23-5-2-1-3-6-23)29(24-8-12-26(32)13-9-24)25-10-14-27(15-11-25)34-22-18-30-16-20-33-21-17-30;1-30-21-25(30)9-6-20-33-27-17-13-24(14-18-27)29(23-11-15-26(32)16-12-23)28(10-5-19-31)22-7-3-2-4-8-22;2*1-30-19-5-9-25(30)21-33-27-17-13-24(14-18-27)29(23-11-15-26(32)16-12-23)28(10-6-20-31)22-7-3-2-4-8-22;31-21-6-9-28(23-7-2-1-3-8-23)29(24-10-14-26(32)15-11-24)25-12-16-27(17-13-25)33-22-20-30-18-4-5-19-30;29-19-4-7-26(21-5-2-1-3-6-21)27(22-8-12-24(30)13-9-22)23-10-14-25(15-11-23)31-20-18-28-16-17-28;28-19-5-10-26(22-6-2-1-3-7-22)27(24-15-17-25(29)18-16-24)23-13-11-21(12-14-23)20-8-4-9-20/h4-6,8-9,11-18,26,33-34H,7,10,19-21H2,1-3H3;2-4,6-7,9-16,33-34H,5,8,17-23H2,1H3;2-4,7-8,11-18,26,32-33H,5-6,9-10,19-22H2,1H3;1,3-4,8-9,11-18,32-33H,2,5-7,10,19-23H2;2-4,7-8,11-18,22,26,31-32H,5-6,9-10,19-21H2,1H3;1-3,5-6,8-15,31-32H,4,7,16-22H2;3*2-4,7-8,11-18,25,31-32H,5-6,9-10,19-21H2,1H3;1-3,7-8,10-17,31-32H,4-6,9,18-22H2;1-3,5-6,8-15,29-30H,4,7,16-20H2;1-3,6-7,11-18,20,28-29H,4-5,8-10,19H2/b29-28+;4*30-29-;5*29-28-;27-26-;27-26+/t;;;;22?,26-;;25-,30?;2*25-;;;/m....0.110.../s1.
What are the key properties of 4-[(Z)-1-[4-[2-(aziridin-1-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;tert-butyl 3-[4-[(E)-5-hydroxy-1-(4-hydroxyphenyl)-2-phenylpent-1-enyl]phenyl]azetidine-1-carboxylate;4-[(E)-1-(4-cyclobutylphenyl)-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[3-[(2R)-1-methylaziridin-2-yl]propoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[3-[(1S)-2-methylcyclopropyl]propoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pent-1-enyl]phenol?
4-[(Z)-1-[4-[2-(aziridin-1-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;tert-butyl 3-[4-[(E)-5-hydroxy-1-(4-hydroxyphenyl)-2-phenylpent-1-enyl]phenyl]azetidine-1-carboxylate;4-[(E)-1-(4-cyclobutylphenyl)-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[3-[(2R)-1-methylaziridin-2-yl]propoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[3-[(1S)-2-methylcyclopropyl]propoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pent-1-enyl]phenol has a molecular weight of 5350.07 g/mol, XLogP of 68.56, 114 rotatable bonds, 24 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-[4-[2-(aziridin-1-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;tert-butyl 3-[4-[(E)-5-hydroxy-1-(4-hydroxyphenyl)-2-phenylpent-1-enyl]phenyl]azetidine-1-carboxylate;4-[(E)-1-(4-cyclobutylphenyl)-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[3-[(2R)-1-methylaziridin-2-yl]propoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[3-[(1S)-2-methylcyclopropyl]propoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pent-1-enyl]phenol is sourced from PubChem (CID 167587220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).