4-[(Z)-1-[4-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(Z)-1-[4-[2-(2-azaspiro[4.4]nonan-2-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-1-(4-cyclohexylphenyl)-5-hydroxy-2-phenylpent-1-enyl]phenol

C92H104N2O8 — CID 161370305

IUPAC4-[(Z)-1-[4-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(Z)-1-[4-[2-(2-azaspiro[4.4]nonan-2-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-1-(4-cyclohexylphenyl)-5-hydroxy-2-phenylpent-1-enyl]phenol
SMILESOCCC/C(=C(\c1ccc(O)cc1)c1ccc(C2CCCCC2)cc1)c1ccccc1.OCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CC3CC3C2)cc1)c1ccccc1.OCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CCC3(CCCC3)C2)cc1)c1ccccc1
InChIInChI=1S/C33H39NO3.C30H33NO3.C29H32O2/c35-23-6-9-31(26-7-2-1-3-8-26)32(27-10-14-29(36)15-11-27)28-12-16-30(17-13-28)37-24-22-34-21-20-33(25-34)18-4-5-19-33;32-17-4-7-29(22-5-2-1-3-6-22)30(23-8-12-27(33)13-9-23)24-10-14-28(15-11-24)34-18-16-31-20-25-19-26(25)21-31;30-21-7-12-28(24-10-5-2-6-11-24)29(26-17-19-27(31)20-18-26)25-15-13-23(14-16-25)22-8-3-1-4-9-22/h1-3,7-8,10-17,35-36H,4-6,9,18-25H2;1-3,5-6,8-15,25-26,32-33H,4,7,16-21H2;2,5-6,10-11,13-20,22,30-31H,1,3-4,7-9,12,21H2/b32-31-;30-29-;29-28+
InChIKeyVQJKROYINSFVNI-QPYBPRFXSA-N
MW1365.85 g/mol
LogP19.39
Rot. Bonds27

About 4-[(Z)-1-[4-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(Z)-1-[4-[2-(2-azaspiro[4.4]nonan-2-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-1-(4-cyclohexylphenyl)-5-hydroxy-2-phenylpent-1-enyl]phenol

4-[(Z)-1-[4-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(Z)-1-[4-[2-(2-azaspiro[4.4]nonan-2-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-1-(4-cyclohexylphenyl)-5-hydroxy-2-phenylpent-1-enyl]phenol (PubChem CID 161370305) has the molecular formula C92H104N2O8 and a molecular weight of 1365.85 g/mol. Its IUPAC name is 4-[(Z)-1-[4-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(Z)-1-[4-[2-(2-azaspiro[4.4]nonan-2-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-1-(4-cyclohexylphenyl)-5-hydroxy-2-phenylpent-1-enyl]phenol.

Molecular Properties

Compound Name4-[(Z)-1-[4-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(Z)-1-[4-[2-(2-azaspiro[4.4]nonan-2-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-1-(4-cyclohexylphenyl)-5-hydroxy-2-phenylpent-1-enyl]phenol
PubChem CID161370305
Molecular FormulaC92H104N2O8
Molecular Weight1365.85 g/mol
Exact Mass1364.78
IUPAC Name4-[(Z)-1-[4-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(Z)-1-[4-[2-(2-azaspiro[4.4]nonan-2-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-1-(4-cyclohexylphenyl)-5-hydroxy-2-phenylpent-1-enyl]phenol
SMILESOCCC/C(=C(\c1ccc(O)cc1)c1ccc(C2CCCCC2)cc1)c1ccccc1.OCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CC3CC3C2)cc1)c1ccccc1.OCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CCC3(CCCC3)C2)cc1)c1ccccc1
InChIInChI=1S/C33H39NO3.C30H33NO3.C29H32O2/c35-23-6-9-31(26-7-2-1-3-8-26)32(27-10-14-29(36)15-11-27)28-12-16-30(17-13-28)37-24-22-34-21-20-33(25-34)18-4-5-19-33;32-17-4-7-29(22-5-2-1-3-6-22)30(23-8-12-27(33)13-9-23)24-10-14-28(15-11-24)34-18-16-31-20-25-19-26(25)21-31;30-21-7-12-28(24-10-5-2-6-11-24)29(26-17-19-27(31)20-18-26)25-15-13-23(14-16-25)22-8-3-1-4-9-22/h1-3,7-8,10-17,35-36H,4-6,9,18-25H2;1-3,5-6,8-15,25-26,32-33H,4,7,16-21H2;2,5-6,10-11,13-20,22,30-31H,1,3-4,7-9,12,21H2/b32-31-;30-29-;29-28+
InChIKeyVQJKROYINSFVNI-QPYBPRFXSA-N
XLogP19.39
TPSA146.32 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds27
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001365.85
LogP ≤ 519.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-[(Z)-1-[4-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(Z)-1-[4-[2-(2-azaspiro[4.4]nonan-2-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-1-(4-cyclohexylphenyl)-5-hydroxy-2-phenylpent-1-enyl]phenol with MolForge

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Related Compounds

4-[(Z)-1-[4-[2-(2-azaspiro[4.4]nonan-2-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;hydrochloride
CID 162661141
4-[(Z)-5-hydroxy-1-[4-[2-[(1R,2S,5S)-2-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;hydrochloride
CID 162661212
4-[(Z)-1-[4-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;hydrochloride
CID 162666499
US10934303, Example 107
CID 138493047
US10934303, Example 106
CID 138493050
4-[(Z)-5-hydroxy-1-[4-[2-[(1R,2S,5S)-2-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]ethoxy]phenyl]-2-phenylpent-1-enyl]phenol
CID 138493175
[(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
2-[1-[6-[4-[2-Adamantylidene-[4-[6-[1-(2-hydroxyethyl)pyrrolidin-1-ium-1-yl]hexoxy]phenyl]methyl]phenoxy]hexyl]pyrrolidin-1-ium-1-yl]ethanol diiodide
CID 161987144
US10934303, Example 109
CID 145430088
4-[Phenanthren-9-yl-[4-(2-piperidin-1-ylethoxy)phenyl]methyl]phenol
CID 16125200
4-[(Z)-1-[4-[2-(2,7-diazaspiro[4.4]nonan-2-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol
CID 138493051
2-[1-[6-[4-[2-Adamantylidene-[4-[6-[1-(2-hydroxyethyl)pyrrolidin-1-ium-1-yl]hexoxy]phenyl]methyl]phenoxy]hexyl]pyrrolidin-1-ium-1-yl]ethanol
CID 155789929

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-[4-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(Z)-1-[4-[2-(2-azaspiro[4.4]nonan-2-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-1-(4-cyclohexylphenyl)-5-hydroxy-2-phenylpent-1-enyl]phenol?
The IUPAC name of 4-[(Z)-1-[4-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(Z)-1-[4-[2-(2-azaspiro[4.4]nonan-2-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-1-(4-cyclohexylphenyl)-5-hydroxy-2-phenylpent-1-enyl]phenol (CID 161370305) is 4-[(Z)-1-[4-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(Z)-1-[4-[2-(2-azaspiro[4.4]nonan-2-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-1-(4-cyclohexylphenyl)-5-hydroxy-2-phenylpent-1-enyl]phenol.
What is the SMILES notation for 4-[(Z)-1-[4-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(Z)-1-[4-[2-(2-azaspiro[4.4]nonan-2-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-1-(4-cyclohexylphenyl)-5-hydroxy-2-phenylpent-1-enyl]phenol?
The canonical SMILES for 4-[(Z)-1-[4-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(Z)-1-[4-[2-(2-azaspiro[4.4]nonan-2-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-1-(4-cyclohexylphenyl)-5-hydroxy-2-phenylpent-1-enyl]phenol is OCCC/C(=C(\c1ccc(O)cc1)c1ccc(C2CCCCC2)cc1)c1ccccc1.OCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CC3CC3C2)cc1)c1ccccc1.OCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CCC3(CCCC3)C2)cc1)c1ccccc1.
What is the InChIKey of 4-[(Z)-1-[4-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(Z)-1-[4-[2-(2-azaspiro[4.4]nonan-2-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-1-(4-cyclohexylphenyl)-5-hydroxy-2-phenylpent-1-enyl]phenol?
The InChIKey is VQJKROYINSFVNI-QPYBPRFXSA-N. The full InChI is InChI=1S/C33H39NO3.C30H33NO3.C29H32O2/c35-23-6-9-31(26-7-2-1-3-8-26)32(27-10-14-29(36)15-11-27)28-12-16-30(17-13-28)37-24-22-34-21-20-33(25-34)18-4-5-19-33;32-17-4-7-29(22-5-2-1-3-6-22)30(23-8-12-27(33)13-9-23)24-10-14-28(15-11-24)34-18-16-31-20-25-19-26(25)21-31;30-21-7-12-28(24-10-5-2-6-11-24)29(26-17-19-27(31)20-18-26)25-15-13-23(14-16-25)22-8-3-1-4-9-22/h1-3,7-8,10-17,35-36H,4-6,9,18-25H2;1-3,5-6,8-15,25-26,32-33H,4,7,16-21H2;2,5-6,10-11,13-20,22,30-31H,1,3-4,7-9,12,21H2/b32-31-;30-29-;29-28+.
What are the key properties of 4-[(Z)-1-[4-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(Z)-1-[4-[2-(2-azaspiro[4.4]nonan-2-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-1-(4-cyclohexylphenyl)-5-hydroxy-2-phenylpent-1-enyl]phenol?
4-[(Z)-1-[4-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(Z)-1-[4-[2-(2-azaspiro[4.4]nonan-2-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-1-(4-cyclohexylphenyl)-5-hydroxy-2-phenylpent-1-enyl]phenol has a molecular weight of 1365.85 g/mol, XLogP of 19.39, 27 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-[4-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(Z)-1-[4-[2-(2-azaspiro[4.4]nonan-2-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-1-(4-cyclohexylphenyl)-5-hydroxy-2-phenylpent-1-enyl]phenol is sourced from PubChem (CID 161370305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).