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-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

C89H104N4O10 — CID 159038977

IUPAC4-[(Z)-5-hydroxy-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]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
SMILESCN1CCN(CCOc2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(O)cc3)cc2)CC1.OCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1)c1ccccc1.OCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C30H36N2O3.C30H35NO3.C29H33NO4/c1-31-17-19-32(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;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;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/h2-4,6-7,9-16,33-34H,5,8,17-23H2,1H3;1,3-4,8-9,11-18,32-33H,2,5-7,10,19-23H2;1-3,5-6,8-15,31-32H,4,7,16-22H2/b2*30-29-;29-28-
InChIKeyJVUSMGOEBVHPIJ-SIUCHQRLSA-N
MW1389.83 g/mol
LogP15.57
Rot. Bonds30

About 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-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-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]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 (PubChem CID 159038977) has the molecular formula C89H104N4O10 and a molecular weight of 1389.83 g/mol. Its IUPAC name is 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-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.

Molecular Properties

Compound Name4-[(Z)-5-hydroxy-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]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
PubChem CID159038977
Molecular FormulaC89H104N4O10
Molecular Weight1389.83 g/mol
Exact Mass1388.78
IUPAC Name4-[(Z)-5-hydroxy-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]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
SMILESCN1CCN(CCOc2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(O)cc3)cc2)CC1.OCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1)c1ccccc1.OCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C30H36N2O3.C30H35NO3.C29H33NO4/c1-31-17-19-32(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;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;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/h2-4,6-7,9-16,33-34H,5,8,17-23H2,1H3;1,3-4,8-9,11-18,32-33H,2,5-7,10,19-23H2;1-3,5-6,8-15,31-32H,4,7,16-22H2/b2*30-29-;29-28-
InChIKeyJVUSMGOEBVHPIJ-SIUCHQRLSA-N
XLogP15.57
TPSA171.26 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds30
Heavy Atoms103
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001389.83
LogP ≤ 515.57
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 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-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 with MolForge

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Related Compounds

4-[Hydroxy(diphenyl)methyl]-1-[2-(phenyloxy)ethyl]-1-azoniabicyclo[2.2.2]octane Bromide
CID 11705919
4-[(E)-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenol
CID 127030255
4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-ethylhex-1-enyl]phenol;4-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-ethylhex-1-enyl]phenol
CID 52946636
Bis(3,3-bis[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-phenylprop-2-enenitrile);pentahydrochloride
CID 134148719
1-Methyl-4-[2-[4-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-adamantyl]phenoxy]ethyl]piperazine
CID 155512723
1-[4-[3-[4-[2-Hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1-adamantyl]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 155541667
4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pent-1-enyl]phenol;hydrochloride
CID 162657839
4-[(Z)-5-hydroxy-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpent-1-enyl]phenol;hydrochloride
CID 162665955
4-[(Z)-2-phenyl-1-[3-(2-piperidin-1-ylethoxy)phenyl]but-1-enyl]phenol
CID 166628462
1-[2-[4-[2-Phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]but-1-enyl]phenoxy]ethyl]piperidine
CID 11591941
4-[2-[4-[1-[4-(2-Morpholin-4-ylethoxy)phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]morpholine
CID 24753965
US10934303, Example 106
CID 138493050

Frequently Asked Questions

What is the IUPAC name of 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-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?
The IUPAC name of 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-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 (CID 159038977) is 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-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.
What is the SMILES notation for 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-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?
The canonical SMILES for 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-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 is CN1CCN(CCOc2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(O)cc3)cc2)CC1.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)-5-hydroxy-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]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?
The InChIKey is JVUSMGOEBVHPIJ-SIUCHQRLSA-N. The full InChI is InChI=1S/C30H36N2O3.C30H35NO3.C29H33NO4/c1-31-17-19-32(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;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;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/h2-4,6-7,9-16,33-34H,5,8,17-23H2,1H3;1,3-4,8-9,11-18,32-33H,2,5-7,10,19-23H2;1-3,5-6,8-15,31-32H,4,7,16-22H2/b2*30-29-;29-28-.
What are the key properties of 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-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-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]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 has a molecular weight of 1389.83 g/mol, XLogP of 15.57, 30 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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-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 is sourced from PubChem (CID 159038977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).