4-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-1-enyl]phenol;methane;methyl (Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-enoate;methyl (Z)-5-(4-methylphenyl)-4-phenyl-5-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-4-enoate

C92H110N2O6 — CID 158843272

About 4-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-1-enyl]phenol;methane;methyl (Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-enoate;methyl (Z)-5-(4-methylphenyl)-4-phenyl-5-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-4-enoate

4-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-1-enyl]phenol;methane;methyl (Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-enoate;methyl (Z)-5-(4-methylphenyl)-4-phenyl-5-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-4-enoate (PubChem CID 158843272) has the molecular formula C92H110N2O6 and a molecular weight of 1339.90 g/mol. Its IUPAC name is 4-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-1-enyl]phenol;methane;methyl (Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-enoate;methyl (Z)-5-(4-methylphenyl)-4-phenyl-5-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-4-enoate.

Molecular Properties

• Compound Name: 4-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-1-enyl]phenol;methane;methyl (Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-enoate;methyl (Z)-5-(4-methylphenyl)-4-phenyl-5-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-4-enoate
• PubChem CID: 158843272
• Molecular Formula: C92H110N2O6
• Molecular Weight: 1339.90 g/mol
• Exact Mass: 1338.84
• IUPAC Name: 4-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-1-enyl]phenol;methane;methyl (Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-enoate;methyl (Z)-5-(4-methylphenyl)-4-phenyl-5-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-4-enoate
• SMILES: C.C.C.CC(C)N1CC(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(O)cc3)cc2)C1.COC(=O)CC/C(=C(\c1ccc(C)cc1)c1ccc(C2CCC2)cc1)c1ccccc1.COC(=O)CC/C(=C(\c1ccc(C)cc1)c1ccc(C2CN(C(C)C)C2)cc1)c1ccccc1
• InChI: InChI=1S/C31H35NO2.C29H33NO2.C29H30O2.3CH4/c1-22(2)32-20-28(21-32)24-14-16-27(17-15-24)31(26-12-10-23(3)11-13-26)29(18-19-30(33)34-4)25-8-6-5-7-9-25;1-21(2)30-19-26(20-30)22-10-12-24(13-11-22)29(25-14-16-27(32)17-15-25)28(9-6-18-31)23-7-4-3-5-8-23;1-21-11-13-25(14-12-21)29(26-17-15-23(16-18-26)22-9-6-10-22)27(19-20-28(30)31-2)24-7-4-3-5-8-24;;;/h5-17,22,28H,18-21H2,1-4H3;3-5,7-8,10-17,21,26,31-32H,6,9,18-20H2,1-2H3;3-5,7-8,11-18,22H,6,9-10,19-20H2,1-2H3;3*1H4/b31-29-;29-28+;29-27-
• InChIKey: IYNAMLPEEXJXGI-VETJLDRNSA-N
• XLogP: 21.73
• TPSA: 99.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 23
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1339.90
LogP ≤ 5	21.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-1-enyl]phenol;methane;methyl (Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-enoate;methyl (Z)-5-(4-methylphenyl)-4-phenyl-5-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-4-enoate?

The IUPAC name of 4-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-1-enyl]phenol;methane;methyl (Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-enoate;methyl (Z)-5-(4-methylphenyl)-4-phenyl-5-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-4-enoate (CID 158843272) is 4-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-1-enyl]phenol;methane;methyl (Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-enoate;methyl (Z)-5-(4-methylphenyl)-4-phenyl-5-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-4-enoate.

What is the SMILES notation for 4-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-1-enyl]phenol;methane;methyl (Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-enoate;methyl (Z)-5-(4-methylphenyl)-4-phenyl-5-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-4-enoate?

The canonical SMILES for 4-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-1-enyl]phenol;methane;methyl (Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-enoate;methyl (Z)-5-(4-methylphenyl)-4-phenyl-5-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-4-enoate is C.C.C.CC(C)N1CC(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(O)cc3)cc2)C1.COC(=O)CC/C(=C(\c1ccc(C)cc1)c1ccc(C2CCC2)cc1)c1ccccc1.COC(=O)CC/C(=C(\c1ccc(C)cc1)c1ccc(C2CN(C(C)C)C2)cc1)c1ccccc1.

What is the InChIKey of 4-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-1-enyl]phenol;methane;methyl (Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-enoate;methyl (Z)-5-(4-methylphenyl)-4-phenyl-5-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-4-enoate?

The InChIKey is IYNAMLPEEXJXGI-VETJLDRNSA-N. The full InChI is InChI=1S/C31H35NO2.C29H33NO2.C29H30O2.3CH4/c1-22(2)32-20-28(21-32)24-14-16-27(17-15-24)31(26-12-10-23(3)11-13-26)29(18-19-30(33)34-4)25-8-6-5-7-9-25;1-21(2)30-19-26(20-30)22-10-12-24(13-11-22)29(25-14-16-27(32)17-15-25)28(9-6-18-31)23-7-4-3-5-8-23;1-21-11-13-25(14-12-21)29(26-17-15-23(16-18-26)22-9-6-10-22)27(19-20-28(30)31-2)24-7-4-3-5-8-24;;;/h5-17,22,28H,18-21H2,1-4H3;3-5,7-8,10-17,21,26,31-32H,6,9,18-20H2,1-2H3;3-5,7-8,11-18,22H,6,9-10,19-20H2,1-2H3;3*1H4/b31-29-;29-28+;29-27-;;;.

What are the key properties of 4-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-1-enyl]phenol;methane;methyl (Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-enoate;methyl (Z)-5-(4-methylphenyl)-4-phenyl-5-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-4-enoate?

4-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-1-enyl]phenol;methane;methyl (Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-enoate;methyl (Z)-5-(4-methylphenyl)-4-phenyl-5-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-4-enoate has a molecular weight of 1339.90 g/mol, XLogP of 21.73, 23 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-1-enyl]phenol;methane;methyl (Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-enoate;methyl (Z)-5-(4-methylphenyl)-4-phenyl-5-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-4-enoate is sourced from PubChem (CID 158843272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).