4-[(E)-5-hydroxy-1-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-2-phenylpent-1-enyl]phenol

C30H34N2O3 — CID 155544192

IUPAC4-[(E)-5-hydroxy-1-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-2-phenylpent-1-enyl]phenol
SMILESOCCC/C(=C(\c1ccc(O)cc1)c1ccc(N2CCN(C3COC3)CC2)cc1)c1ccccc1
InChIInChI=1S/C30H34N2O3/c33-20-4-7-29(23-5-2-1-3-6-23)30(25-10-14-28(34)15-11-25)24-8-12-26(13-9-24)31-16-18-32(19-17-31)27-21-35-22-27/h1-3,5-6,8-15,27,33-34H,4,7,16-22H2/b30-29+
InChIKeyHUJOCQVNYHHQBD-QVIHXGFCSA-N
MW470.61 g/mol
LogP4.64
Rot. Bonds8

About 4-[(E)-5-hydroxy-1-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-2-phenylpent-1-enyl]phenol

4-[(E)-5-hydroxy-1-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-2-phenylpent-1-enyl]phenol (PubChem CID 155544192) has the molecular formula C30H34N2O3 and a molecular weight of 470.61 g/mol. Its IUPAC name is 4-[(E)-5-hydroxy-1-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-2-phenylpent-1-enyl]phenol.

Molecular Properties

Compound Name4-[(E)-5-hydroxy-1-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-2-phenylpent-1-enyl]phenol
PubChem CID155544192
Molecular FormulaC30H34N2O3
Molecular Weight470.61 g/mol
Exact Mass470.26
IUPAC Name4-[(E)-5-hydroxy-1-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-2-phenylpent-1-enyl]phenol
SMILESOCCC/C(=C(\c1ccc(O)cc1)c1ccc(N2CCN(C3COC3)CC2)cc1)c1ccccc1
InChIInChI=1S/C30H34N2O3/c33-20-4-7-29(23-5-2-1-3-6-23)30(25-10-14-28(34)15-11-25)24-8-12-26(13-9-24)31-16-18-32(19-17-31)27-21-35-22-27/h1-3,5-6,8-15,27,33-34H,4,7,16-22H2/b30-29+
InChIKeyHUJOCQVNYHHQBD-QVIHXGFCSA-N
XLogP4.64
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.61
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(oxetan-3-yl)piperazin-1-yl]phenyl]-2-phenylpent-1-enyl]phenol?
The IUPAC name of 4-[(E)-5-hydroxy-1-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-2-phenylpent-1-enyl]phenol (CID 155544192) is 4-[(E)-5-hydroxy-1-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-2-phenylpent-1-enyl]phenol.
What is the SMILES notation for 4-[(E)-5-hydroxy-1-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-2-phenylpent-1-enyl]phenol?
The canonical SMILES for 4-[(E)-5-hydroxy-1-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-2-phenylpent-1-enyl]phenol is OCCC/C(=C(\c1ccc(O)cc1)c1ccc(N2CCN(C3COC3)CC2)cc1)c1ccccc1.
What is the InChIKey of 4-[(E)-5-hydroxy-1-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-2-phenylpent-1-enyl]phenol?
The InChIKey is HUJOCQVNYHHQBD-QVIHXGFCSA-N. The full InChI is InChI=1S/C30H34N2O3/c33-20-4-7-29(23-5-2-1-3-6-23)30(25-10-14-28(34)15-11-25)24-8-12-26(13-9-24)31-16-18-32(19-17-31)27-21-35-22-27/h1-3,5-6,8-15,27,33-34H,4,7,16-22H2/b30-29+.
What are the key properties of 4-[(E)-5-hydroxy-1-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-2-phenylpent-1-enyl]phenol?
4-[(E)-5-hydroxy-1-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-2-phenylpent-1-enyl]phenol has a molecular weight of 470.61 g/mol, XLogP of 4.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-5-hydroxy-1-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-2-phenylpent-1-enyl]phenol is sourced from PubChem (CID 155544192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).