4-[(Z)-5-hydroxy-1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[2-[(2R)-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

C89H104N4O9 — CID 161428594

IUPAC4-[(Z)-5-hydroxy-1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[2-[(2R)-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
SMILESCN1CCCC1CCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1.CN1CCC[C@@H]1CCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1.OCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CCNCC2)cc1)c1ccccc1
InChIInChI=1S/2C30H35NO3.C29H34N2O3/c2*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;32-21-4-7-28(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*2-4,7-8,11-18,26,32-33H,5-6,9-10,19-22H2,1H3;1-3,5-6,8-15,30,32-33H,4,7,16-22H2/b2*30-29-;29-28-/t26-;;/m1../s1
InChIKeyVXRYKADOGLXEIZ-LZICGTFLSA-N
MW1373.83 g/mol
LogP16.38
Rot. Bonds30

About 4-[(Z)-5-hydroxy-1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[2-[(2R)-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

4-[(Z)-5-hydroxy-1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[2-[(2R)-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 (PubChem CID 161428594) has the molecular formula C89H104N4O9 and a molecular weight of 1373.83 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-1-[4-[2-[(2R)-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.

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-1-[4-[2-[(2R)-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
PubChem CID161428594
Molecular FormulaC89H104N4O9
Molecular Weight1373.83 g/mol
Exact Mass1372.78
IUPAC Name4-[(Z)-5-hydroxy-1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[2-[(2R)-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
SMILESCN1CCCC1CCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1.CN1CCC[C@@H]1CCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1.OCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CCNCC2)cc1)c1ccccc1
InChIInChI=1S/2C30H35NO3.C29H34N2O3/c2*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;32-21-4-7-28(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*2-4,7-8,11-18,26,32-33H,5-6,9-10,19-22H2,1H3;1-3,5-6,8-15,30,32-33H,4,7,16-22H2/b2*30-29-;29-28-/t26-;;/m1../s1
InChIKeyVXRYKADOGLXEIZ-LZICGTFLSA-N
XLogP16.38
TPSA170.82 Ų
H-Bond Donors7
H-Bond Acceptors13
Rotatable Bonds30
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001373.83
LogP ≤ 516.38
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1013

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-1-[4-[2-[(2R)-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 with MolForge

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Related Compounds

(5S)-5-benzyl-4-[2-(4-ethoxyphenyl)ethyl]-1-[(2S)-1-[(2R)-2-[[(6S)-6-[(4-hydroxyphenyl)methyl]-2,3-dioxopiperazin-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-2-yl]piperazine-2,3-dione
CID 51359456
4-[(Z)-1-[4-[2-(2,7-diazaspiro[4.4]nonan-2-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;hydrochloride
CID 162657803
[(2S)-1-[6-[4-[2-adamantylidene-[4-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]hexoxy]phenyl]methyl]phenoxy]hexyl]pyrrolidin-2-yl]methanol
CID 155789961
(5S)-5-benzyl-1-[(2S)-1-[(2R)-2-[[(6S)-6-benzyl-2,3-dioxopiperazin-1-yl]methyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)propan-2-yl]-4-[2-(4-ethoxyphenyl)ethyl]piperazine-2,3-dione
CID 45280974
(5S)-1-[(2S)-1-[(2S)-2-[[(6S)-6-benzyl-2,3-dioxopiperazin-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-2-yl]-4-[2-(4-ethoxyphenyl)ethyl]-5-[(4-hydroxyphenyl)methyl]piperazine-2,3-dione
CID 53300378
(5S)-1-[(2S)-1-[(2S)-2-[[(6S)-6-benzyl-2,3-dioxopiperazin-1-yl]methyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)propan-2-yl]-4-[2-(4-ethoxyphenyl)ethyl]-5-[(4-hydroxyphenyl)methyl]piperazine-2,3-dione
CID 53300395
(5S)-4-[2-(4-ethoxyphenyl)ethyl]-5-[(4-hydroxyphenyl)methyl]-1-[(2S)-1-[(2S)-2-[[(6S)-6-[(4-hydroxyphenyl)methyl]-2,3-dioxopiperazin-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-2-yl]piperazine-2,3-dione
CID 53300404
(2S)-2-benzyl-4-[(1S)-1-benzyl-2-[2-[[(2S)-2-benzylpiperazin-1-yl]methyl]pyrrolidin-1-yl]ethyl]-1-[2-(4-ethoxyphenyl)ethyl]piperazine
CID 46883267
Chemistry 105
CID 53300374
(5S)-5-benzyl-4-[2-(4-ethoxyphenyl)ethyl]-1-[(2S)-1-(4-hydroxyphenyl)-3-[(2S)-2-[[(6S)-6-[(4-hydroxyphenyl)methyl]-2,3-dioxopiperazin-1-yl]methyl]pyrrolidin-1-yl]propan-2-yl]piperazine-2,3-dione
CID 53300420
4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]pent-1-enyl]phenol
CID 138493023
4-[(Z)-1-[4-[2-(2,7-diazaspiro[4.4]nonan-2-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol
CID 138493051

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-1-[4-[2-[(2R)-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?
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-1-[4-[2-[(2R)-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 (CID 161428594) is 4-[(Z)-5-hydroxy-1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[2-[(2R)-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.
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-1-[4-[2-[(2R)-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?
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-1-[4-[2-[(2R)-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 is CN1CCCC1CCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1.CN1CCC[C@@H]1CCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)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-1-[4-[2-[(2R)-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?
The InChIKey is VXRYKADOGLXEIZ-LZICGTFLSA-N. The full InChI is InChI=1S/2C30H35NO3.C29H34N2O3/c2*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;32-21-4-7-28(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*2-4,7-8,11-18,26,32-33H,5-6,9-10,19-22H2,1H3;1-3,5-6,8-15,30,32-33H,4,7,16-22H2/b2*30-29-;29-28-/t26-;;/m1../s1.
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-1-[4-[2-[(2R)-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?
4-[(Z)-5-hydroxy-1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[2-[(2R)-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 has a molecular weight of 1373.83 g/mol, XLogP of 16.38, 30 rotatable bonds, 7 hydrogen bond donors, and 13 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-1-[4-[2-[(2R)-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 is sourced from PubChem (CID 161428594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).