4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pent-1-enyl]phenol

C30H35NO3 — CID 138493064

IUPAC4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pent-1-enyl]phenol
SMILESOCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C30H35NO3/c32-22-7-10-29(24-8-3-1-4-9-24)30(25-11-15-27(33)16-12-25)26-13-17-28(18-14-26)34-23-21-31-19-5-2-6-20-31/h1,3-4,8-9,11-18,32-33H,2,5-7,10,19-23H2/b30-29-
InChIKeyUFPFMVPHDSUBQY-FLWNBWAVSA-N
MW457.61 g/mol
LogP5.99
Rot. Bonds10

About 4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pent-1-enyl]phenol

4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pent-1-enyl]phenol (PubChem CID 138493064) has the molecular formula C30H35NO3 and a molecular weight of 457.61 g/mol. Its IUPAC name is 4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pent-1-enyl]phenol.

Molecular Properties

Compound Name4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pent-1-enyl]phenol
PubChem CID138493064
Molecular FormulaC30H35NO3
Molecular Weight457.61 g/mol
Exact Mass457.26
IUPAC Name4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pent-1-enyl]phenol
SMILESOCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C30H35NO3/c32-22-7-10-29(24-8-3-1-4-9-24)30(25-11-15-27(33)16-12-25)26-13-17-28(18-14-26)34-23-21-31-19-5-2-6-20-31/h1,3-4,8-9,11-18,32-33H,2,5-7,10,19-23H2/b30-29-
InChIKeyUFPFMVPHDSUBQY-FLWNBWAVSA-N
XLogP5.99
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.61
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pent-1-enyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pent-1-enyl]phenol?
The IUPAC name of 4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pent-1-enyl]phenol (CID 138493064) is 4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pent-1-enyl]phenol.
What is the SMILES notation for 4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pent-1-enyl]phenol?
The canonical SMILES for 4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pent-1-enyl]phenol is OCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1)c1ccccc1.
What is the InChIKey of 4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pent-1-enyl]phenol?
The InChIKey is UFPFMVPHDSUBQY-FLWNBWAVSA-N. The full InChI is InChI=1S/C30H35NO3/c32-22-7-10-29(24-8-3-1-4-9-24)30(25-11-15-27(33)16-12-25)26-13-17-28(18-14-26)34-23-21-31-19-5-2-6-20-31/h1,3-4,8-9,11-18,32-33H,2,5-7,10,19-23H2/b30-29-.
What are the key properties of 4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pent-1-enyl]phenol?
4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pent-1-enyl]phenol has a molecular weight of 457.61 g/mol, XLogP of 5.99, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pent-1-enyl]phenol is sourced from PubChem (CID 138493064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).