4-[(E)-5-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpent-1-enyl]phenol

C28H32N2O2 — CID 138493127

IUPAC4-[(E)-5-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpent-1-enyl]phenol
SMILESCN1CCN(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(O)cc3)cc2)CC1
InChIInChI=1S/C28H32N2O2/c1-29-17-19-30(20-18-29)25-13-9-23(10-14-25)28(24-11-15-26(32)16-12-24)27(8-5-21-31)22-6-3-2-4-7-22/h2-4,6-7,9-16,31-32H,5,8,17-21H2,1H3/b28-27+
InChIKeySMRSDVILRBXSFD-BYYHNAKLSA-N
MW428.58 g/mol
LogP4.88
Rot. Bonds7

About 4-[(E)-5-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpent-1-enyl]phenol

4-[(E)-5-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpent-1-enyl]phenol (PubChem CID 138493127) has the molecular formula C28H32N2O2 and a molecular weight of 428.58 g/mol. Its IUPAC name is 4-[(E)-5-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpent-1-enyl]phenol.

Molecular Properties

Compound Name4-[(E)-5-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpent-1-enyl]phenol
PubChem CID138493127
Molecular FormulaC28H32N2O2
Molecular Weight428.58 g/mol
Exact Mass428.25
IUPAC Name4-[(E)-5-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpent-1-enyl]phenol
SMILESCN1CCN(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(O)cc3)cc2)CC1
InChIInChI=1S/C28H32N2O2/c1-29-17-19-30(20-18-29)25-13-9-23(10-14-25)28(24-11-15-26(32)16-12-24)27(8-5-21-31)22-6-3-2-4-7-22/h2-4,6-7,9-16,31-32H,5,8,17-21H2,1H3/b28-27+
InChIKeySMRSDVILRBXSFD-BYYHNAKLSA-N
XLogP4.88
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-5-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpent-1-enyl]phenol?
The IUPAC name of 4-[(E)-5-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpent-1-enyl]phenol (CID 138493127) is 4-[(E)-5-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpent-1-enyl]phenol.
What is the SMILES notation for 4-[(E)-5-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpent-1-enyl]phenol?
The canonical SMILES for 4-[(E)-5-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpent-1-enyl]phenol is CN1CCN(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(O)cc3)cc2)CC1.
What is the InChIKey of 4-[(E)-5-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpent-1-enyl]phenol?
The InChIKey is SMRSDVILRBXSFD-BYYHNAKLSA-N. The full InChI is InChI=1S/C28H32N2O2/c1-29-17-19-30(20-18-29)25-13-9-23(10-14-25)28(24-11-15-26(32)16-12-24)27(8-5-21-31)22-6-3-2-4-7-22/h2-4,6-7,9-16,31-32H,5,8,17-21H2,1H3/b28-27+.
What are the key properties of 4-[(E)-5-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpent-1-enyl]phenol?
4-[(E)-5-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpent-1-enyl]phenol has a molecular weight of 428.58 g/mol, XLogP of 4.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-5-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpent-1-enyl]phenol is sourced from PubChem (CID 138493127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).