4-[(Z)-5-hydroxy-1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]pent-1-enyl]phenol;(Z)-5-(4-methylphenyl)-4-phenyl-5-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-4-en-1-ol

C89H104N4O7 — CID 158406848

IUPAC4-[(Z)-5-hydroxy-1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]pent-1-enyl]phenol;(Z)-5-(4-methylphenyl)-4-phenyl-5-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-4-en-1-ol
SMILESCN1CCCC1CCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1.Cc1ccc(/C(=C(\CCCO)c2ccccc2)c2ccc(C3CN(C(C)C)C3)cc2)cc1.OCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CCNCC2)cc1)c1ccccc1
InChIInChI=1S/C30H35NO3.C30H35NO.C29H34N2O3/c1-31-20-5-9-26(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;1-22(2)31-20-28(21-31)24-15-17-27(18-16-24)30(26-13-11-23(3)12-14-26)29(10-7-19-32)25-8-5-4-6-9-25;32-21-4-7-28(23-5-2-1-3-6-23)29(24-8-12-26(33)13-9-24)25-10-14-27(15-11-25)34-22-20-31-18-16-30-17-19-31/h2-4,7-8,11-18,26,32-33H,5-6,9-10,19-22H2,1H3;4-6,8-9,11-18,22,28,32H,7,10,19-21H2,1-3H3;1-3,5-6,8-15,30,32-33H,4,7,16-22H2/b2*30-29-;29-28-
InChIKeyGYUQRWJIPCXPOQ-SIUCHQRLSA-N
MW1341.83 g/mol
LogP16.93
Rot. Bonds28

About 4-[(Z)-5-hydroxy-1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]pent-1-enyl]phenol;(Z)-5-(4-methylphenyl)-4-phenyl-5-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-4-en-1-ol

4-[(Z)-5-hydroxy-1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]pent-1-enyl]phenol;(Z)-5-(4-methylphenyl)-4-phenyl-5-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-4-en-1-ol (PubChem CID 158406848) has the molecular formula C89H104N4O7 and a molecular weight of 1341.83 g/mol. Its IUPAC name is 4-[(Z)-5-hydroxy-1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]pent-1-enyl]phenol;(Z)-5-(4-methylphenyl)-4-phenyl-5-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-4-en-1-ol.

Molecular Properties

Compound Name4-[(Z)-5-hydroxy-1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]pent-1-enyl]phenol;(Z)-5-(4-methylphenyl)-4-phenyl-5-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-4-en-1-ol
PubChem CID158406848
Molecular FormulaC89H104N4O7
Molecular Weight1341.83 g/mol
Exact Mass1340.79
IUPAC Name4-[(Z)-5-hydroxy-1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]pent-1-enyl]phenol;(Z)-5-(4-methylphenyl)-4-phenyl-5-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-4-en-1-ol
SMILESCN1CCCC1CCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1.Cc1ccc(/C(=C(\CCCO)c2ccccc2)c2ccc(C3CN(C(C)C)C3)cc2)cc1.OCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CCNCC2)cc1)c1ccccc1
InChIInChI=1S/C30H35NO3.C30H35NO.C29H34N2O3/c1-31-20-5-9-26(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;1-22(2)31-20-28(21-31)24-15-17-27(18-16-24)30(26-13-11-23(3)12-14-26)29(10-7-19-32)25-8-5-4-6-9-25;32-21-4-7-28(23-5-2-1-3-6-23)29(24-8-12-26(33)13-9-24)25-10-14-27(15-11-25)34-22-20-31-18-16-30-17-19-31/h2-4,7-8,11-18,26,32-33H,5-6,9-10,19-22H2,1H3;4-6,8-9,11-18,22,28,32H,7,10,19-21H2,1-3H3;1-3,5-6,8-15,30,32-33H,4,7,16-22H2/b2*30-29-;29-28-
InChIKeyGYUQRWJIPCXPOQ-SIUCHQRLSA-N
XLogP16.93
TPSA141.36 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds28
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001341.83
LogP ≤ 516.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 4-[(Z)-5-hydroxy-1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]pent-1-enyl]phenol;(Z)-5-(4-methylphenyl)-4-phenyl-5-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-4-en-1-ol with MolForge

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Related Compounds

4-[9-Phenanthryl-[4-[2-[2-(1-piperidyl)ethylamino]ethoxy]phenyl]methyl]phenol
CID 16727861
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CID 25176567
4-[4-[3-[(3R)-3-aminopyrrolidin-1-yl]propoxy]phenyl]benzonitrile;4-(4-hydroxyphenyl)benzonitrile
CID 69965473
4-[(1R)-2-[[(2R)-1-[4-[(2R)-2-[bis[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenyl]propan-2-yl]amino]-1-hydroxyethyl]phenol
CID 70461450
4-[2-[1-[4-[2-[Bis(2-hydroxy-3-phenoxypropyl)amino]propyl]phenyl]propan-2-ylamino]-1-hydroxyethyl]phenol
CID 70461500
1-[(2-Hydroxy-3-phenoxypropyl)-[1-[4-[2-[[2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]amino]propyl]phenyl]propan-2-yl]amino]-3-phenoxypropan-2-ol
CID 70461621
(2S)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]-[(2R)-1-[4-[(2R)-2-[[(2R)-2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]amino]propyl]phenyl]propan-2-yl]amino]-3-phenoxypropan-2-ol
CID 70461622
(2R)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-[(2S)-1-[[7-[2-[4-[1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl-methylamino]-7-oxoheptyl]amino]-1-oxo-3,3-diphenylpropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 140221660
1-[1-[4-[2-(4-Methylphenyl)ethoxy]phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 143036748
1-[2-[3-(Methylamino)piperidin-1-yl]-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-ol
CID 143036775
1-[1-[4-[(4-Methylphenyl)methoxy]phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 143037695
4-[[4-(3-Hydroxy-4-piperazin-1-ylbutyl)phenyl]-[4-(3-piperazin-1-ylpropoxy)phenyl]methyl]phenol
CID 143318324

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-5-hydroxy-1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]pent-1-enyl]phenol;(Z)-5-(4-methylphenyl)-4-phenyl-5-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-4-en-1-ol?
The IUPAC name of 4-[(Z)-5-hydroxy-1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]pent-1-enyl]phenol;(Z)-5-(4-methylphenyl)-4-phenyl-5-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-4-en-1-ol (CID 158406848) is 4-[(Z)-5-hydroxy-1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]pent-1-enyl]phenol;(Z)-5-(4-methylphenyl)-4-phenyl-5-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-4-en-1-ol.
What is the SMILES notation for 4-[(Z)-5-hydroxy-1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]pent-1-enyl]phenol;(Z)-5-(4-methylphenyl)-4-phenyl-5-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-4-en-1-ol?
The canonical SMILES for 4-[(Z)-5-hydroxy-1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]pent-1-enyl]phenol;(Z)-5-(4-methylphenyl)-4-phenyl-5-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-4-en-1-ol is CN1CCCC1CCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1.Cc1ccc(/C(=C(\CCCO)c2ccccc2)c2ccc(C3CN(C(C)C)C3)cc2)cc1.OCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CCNCC2)cc1)c1ccccc1.
What is the InChIKey of 4-[(Z)-5-hydroxy-1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]pent-1-enyl]phenol;(Z)-5-(4-methylphenyl)-4-phenyl-5-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-4-en-1-ol?
The InChIKey is GYUQRWJIPCXPOQ-SIUCHQRLSA-N. The full InChI is InChI=1S/C30H35NO3.C30H35NO.C29H34N2O3/c1-31-20-5-9-26(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;1-22(2)31-20-28(21-31)24-15-17-27(18-16-24)30(26-13-11-23(3)12-14-26)29(10-7-19-32)25-8-5-4-6-9-25;32-21-4-7-28(23-5-2-1-3-6-23)29(24-8-12-26(33)13-9-24)25-10-14-27(15-11-25)34-22-20-31-18-16-30-17-19-31/h2-4,7-8,11-18,26,32-33H,5-6,9-10,19-22H2,1H3;4-6,8-9,11-18,22,28,32H,7,10,19-21H2,1-3H3;1-3,5-6,8-15,30,32-33H,4,7,16-22H2/b2*30-29-;29-28-.
What are the key properties of 4-[(Z)-5-hydroxy-1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]pent-1-enyl]phenol;(Z)-5-(4-methylphenyl)-4-phenyl-5-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-4-en-1-ol?
4-[(Z)-5-hydroxy-1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]pent-1-enyl]phenol;(Z)-5-(4-methylphenyl)-4-phenyl-5-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-4-en-1-ol has a molecular weight of 1341.83 g/mol, XLogP of 16.93, 28 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-5-hydroxy-1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]pent-1-enyl]phenol;(Z)-5-(4-methylphenyl)-4-phenyl-5-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-4-en-1-ol is sourced from PubChem (CID 158406848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).