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

C30H36ClNO3 — CID 162657839

IUPAC4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pent-1-enyl]phenol;hydrochloride
SMILESCl.OCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C30H35NO3.ClH/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;1H/b30-29-;
InChIKeyXEWZOLATMUWHOY-DHKWPOFJSA-N
MW494.08 g/mol
LogP6.41
Rot. Bonds10

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

4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pent-1-enyl]phenol;hydrochloride (PubChem CID 162657839) has the molecular formula C30H36ClNO3 and a molecular weight of 494.08 g/mol. Its IUPAC name is 4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pent-1-enyl]phenol;hydrochloride.

Molecular Properties

Compound Name4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pent-1-enyl]phenol;hydrochloride
PubChem CID162657839
Molecular FormulaC30H36ClNO3
Molecular Weight494.08 g/mol
Exact Mass493.24
IUPAC Name4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pent-1-enyl]phenol;hydrochloride
SMILESCl.OCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C30H35NO3.ClH/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;1H/b30-29-;
InChIKeyXEWZOLATMUWHOY-DHKWPOFJSA-N
XLogP6.41
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.08
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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;hydrochloride?
The IUPAC name of 4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pent-1-enyl]phenol;hydrochloride (CID 162657839) is 4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pent-1-enyl]phenol;hydrochloride.
What is the SMILES notation for 4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pent-1-enyl]phenol;hydrochloride?
The canonical SMILES for 4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pent-1-enyl]phenol;hydrochloride is Cl.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;hydrochloride?
The InChIKey is XEWZOLATMUWHOY-DHKWPOFJSA-N. The full InChI is InChI=1S/C30H35NO3.ClH/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;1H/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;hydrochloride?
4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pent-1-enyl]phenol;hydrochloride has a molecular weight of 494.08 g/mol, XLogP of 6.41, 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;hydrochloride is sourced from PubChem (CID 162657839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).