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

C29H34N2O3 — CID 138493023

IUPAC4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]pent-1-enyl]phenol
SMILESOCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CCNCC2)cc1)c1ccccc1
InChIInChI=1S/C29H34N2O3/c32-21-4-7-28(23-5-2-1-3-6-23)29(24-8-12-26(33)13-9-24)25-10-14-27(15-11-25)34-22-20-31-18-16-30-17-19-31/h1-3,5-6,8-15,30,32-33H,4,7,16-22H2/b29-28-
InChIKeyDASGYVOSPONWCR-ZIADKAODSA-N
MW458.60 g/mol
LogP4.41
Rot. Bonds10

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

4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]pent-1-enyl]phenol (PubChem CID 138493023) has the molecular formula C29H34N2O3 and a molecular weight of 458.60 g/mol. Its IUPAC name is 4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]pent-1-enyl]phenol.

Molecular Properties

Compound Name4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]pent-1-enyl]phenol
PubChem CID138493023
Molecular FormulaC29H34N2O3
Molecular Weight458.60 g/mol
Exact Mass458.26
IUPAC Name4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]pent-1-enyl]phenol
SMILESOCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CCNCC2)cc1)c1ccccc1
InChIInChI=1S/C29H34N2O3/c32-21-4-7-28(23-5-2-1-3-6-23)29(24-8-12-26(33)13-9-24)25-10-14-27(15-11-25)34-22-20-31-18-16-30-17-19-31/h1-3,5-6,8-15,30,32-33H,4,7,16-22H2/b29-28-
InChIKeyDASGYVOSPONWCR-ZIADKAODSA-N
XLogP4.41
TPSA64.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.60
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-piperazin-1-ylethoxy)phenyl]pent-1-enyl]phenol?
The IUPAC name of 4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]pent-1-enyl]phenol (CID 138493023) is 4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]pent-1-enyl]phenol.
What is the SMILES notation for 4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]pent-1-enyl]phenol?
The canonical SMILES for 4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]pent-1-enyl]phenol is OCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CCNCC2)cc1)c1ccccc1.
What is the InChIKey of 4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]pent-1-enyl]phenol?
The InChIKey is DASGYVOSPONWCR-ZIADKAODSA-N. The full InChI is InChI=1S/C29H34N2O3/c32-21-4-7-28(23-5-2-1-3-6-23)29(24-8-12-26(33)13-9-24)25-10-14-27(15-11-25)34-22-20-31-18-16-30-17-19-31/h1-3,5-6,8-15,30,32-33H,4,7,16-22H2/b29-28-.
What are the key properties of 4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]pent-1-enyl]phenol?
4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]pent-1-enyl]phenol has a molecular weight of 458.60 g/mol, XLogP of 4.41, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-5-hydroxy-2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]pent-1-enyl]phenol is sourced from PubChem (CID 138493023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).