(Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol;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;4-[(Z)-5-hydroxy-1-[4-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]phenyl]-2-phenylpent-1-enyl]phenol

C89H100N2O9 — CID 160756952

About (Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol;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;4-[(Z)-5-hydroxy-1-[4-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]phenyl]-2-phenylpent-1-enyl]phenol

(Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol;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;4-[(Z)-5-hydroxy-1-[4-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]phenyl]-2-phenylpent-1-enyl]phenol (PubChem CID 160756952) has the molecular formula C89H100N2O9 and a molecular weight of 1341.78 g/mol. Its IUPAC name is (Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol;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;4-[(Z)-5-hydroxy-1-[4-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]phenyl]-2-phenylpent-1-enyl]phenol.

Molecular Properties

• Compound Name: (Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol;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;4-[(Z)-5-hydroxy-1-[4-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]phenyl]-2-phenylpent-1-enyl]phenol
• PubChem CID: 160756952
• Molecular Formula: C89H100N2O9
• Molecular Weight: 1341.78 g/mol
• Exact Mass: 1340.74
• IUPAC Name: (Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol;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;4-[(Z)-5-hydroxy-1-[4-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]phenyl]-2-phenylpent-1-enyl]phenol
• SMILES: Cc1ccc(/C(=C(\CCCO)c2ccccc2)c2ccc(C3CCC3)cc2)cc1.OCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CCC[C@@H]2CO)cc1)c1ccccc1.OCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2C[C@H]3C[C@H]3[C@H]2CO)cc1)c1ccccc1
• InChI: InChI=1S/C31H35NO4.C30H35NO4.C28H30O/c33-17-4-7-28(22-5-2-1-3-6-22)31(23-8-12-26(35)13-9-23)24-10-14-27(15-11-24)36-18-16-32-20-25-19-29(25)30(32)21-34;32-20-5-9-29(23-6-2-1-3-7-23)30(24-10-14-27(34)15-11-24)25-12-16-28(17-13-25)35-21-19-31-18-4-8-26(31)22-33;1-21-12-14-25(15-13-21)28(26-18-16-23(17-19-26)22-9-5-10-22)27(11-6-20-29)24-7-3-2-4-8-24/h1-3,5-6,8-15,25,29-30,33-35H,4,7,16-21H2;1-3,6-7,10-17,26,32-34H,4-5,8-9,18-22H2;2-4,7-8,12-19,22,29H,5-6,9-11,20H2,1H3/b31-28-;30-29-;28-27-/t25-,29-,30-;26-;/m11./s1
• InChIKey: RXODWNJZCOFFPL-FQSPLTIXSA-N
• XLogP: 16.77
• TPSA: 166.55 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 11
• Rotatable Bonds: 29
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1341.78
LogP ≤ 5	16.77
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol;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;4-[(Z)-5-hydroxy-1-[4-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]phenyl]-2-phenylpent-1-enyl]phenol?

The IUPAC name of (Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol;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;4-[(Z)-5-hydroxy-1-[4-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]phenyl]-2-phenylpent-1-enyl]phenol (CID 160756952) is (Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol;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;4-[(Z)-5-hydroxy-1-[4-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]phenyl]-2-phenylpent-1-enyl]phenol.

What is the SMILES notation for (Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol;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;4-[(Z)-5-hydroxy-1-[4-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]phenyl]-2-phenylpent-1-enyl]phenol?

The canonical SMILES for (Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol;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;4-[(Z)-5-hydroxy-1-[4-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]phenyl]-2-phenylpent-1-enyl]phenol is Cc1ccc(/C(=C(\CCCO)c2ccccc2)c2ccc(C3CCC3)cc2)cc1.OCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CCC[C@@H]2CO)cc1)c1ccccc1.OCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2C[C@H]3C[C@H]3[C@H]2CO)cc1)c1ccccc1.

What is the InChIKey of (Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol;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;4-[(Z)-5-hydroxy-1-[4-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]phenyl]-2-phenylpent-1-enyl]phenol?

The InChIKey is RXODWNJZCOFFPL-FQSPLTIXSA-N. The full InChI is InChI=1S/C31H35NO4.C30H35NO4.C28H30O/c33-17-4-7-28(22-5-2-1-3-6-22)31(23-8-12-26(35)13-9-23)24-10-14-27(15-11-24)36-18-16-32-20-25-19-29(25)30(32)21-34;32-20-5-9-29(23-6-2-1-3-7-23)30(24-10-14-27(34)15-11-24)25-12-16-28(17-13-25)35-21-19-31-18-4-8-26(31)22-33;1-21-12-14-25(15-13-21)28(26-18-16-23(17-19-26)22-9-5-10-22)27(11-6-20-29)24-7-3-2-4-8-24/h1-3,5-6,8-15,25,29-30,33-35H,4,7,16-21H2;1-3,6-7,10-17,26,32-34H,4-5,8-9,18-22H2;2-4,7-8,12-19,22,29H,5-6,9-11,20H2,1H3/b31-28-;30-29-;28-27-/t25-,29-,30-;26-;/m11./s1.

What are the key properties of (Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol;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;4-[(Z)-5-hydroxy-1-[4-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]phenyl]-2-phenylpent-1-enyl]phenol?

(Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol;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;4-[(Z)-5-hydroxy-1-[4-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]phenyl]-2-phenylpent-1-enyl]phenol has a molecular weight of 1341.78 g/mol, XLogP of 16.77, 29 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol;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;4-[(Z)-5-hydroxy-1-[4-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]phenyl]-2-phenylpent-1-enyl]phenol is sourced from PubChem (CID 160756952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).