4-[(Z)-5-hydroxy-1-[4-[2-[(2R)-1-methylpyrrolidin-2-yl]ethoxy]phenyl]-2-phenylpent-1-enyl]phenol

C30H35NO3 — CID 138493087

IUPAC4-[(Z)-5-hydroxy-1-[4-[2-[(2R)-1-methylpyrrolidin-2-yl]ethoxy]phenyl]-2-phenylpent-1-enyl]phenol
SMILESCN1CCC[C@@H]1CCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C30H35NO3/c1-31-20-5-9-26(31)19-22-34-28-17-13-25(14-18-28)30(24-11-15-27(33)16-12-24)29(10-6-21-32)23-7-3-2-4-8-23/h2-4,7-8,11-18,26,32-33H,5-6,9-10,19-22H2,1H3/b30-29-/t26-/m1/s1
InChIKeyZUSXRJKXJTTXKD-FYUFQVDVSA-N
MW457.61 g/mol
LogP5.99
Rot. Bonds10

About 4-[(Z)-5-hydroxy-1-[4-[2-[(2R)-1-methylpyrrolidin-2-yl]ethoxy]phenyl]-2-phenylpent-1-enyl]phenol

4-[(Z)-5-hydroxy-1-[4-[2-[(2R)-1-methylpyrrolidin-2-yl]ethoxy]phenyl]-2-phenylpent-1-enyl]phenol (PubChem CID 138493087) has the molecular formula C30H35NO3 and a molecular weight of 457.61 g/mol. Its IUPAC name is 4-[(Z)-5-hydroxy-1-[4-[2-[(2R)-1-methylpyrrolidin-2-yl]ethoxy]phenyl]-2-phenylpent-1-enyl]phenol.

Molecular Properties

Compound Name4-[(Z)-5-hydroxy-1-[4-[2-[(2R)-1-methylpyrrolidin-2-yl]ethoxy]phenyl]-2-phenylpent-1-enyl]phenol
PubChem CID138493087
Molecular FormulaC30H35NO3
Molecular Weight457.61 g/mol
Exact Mass457.26
IUPAC Name4-[(Z)-5-hydroxy-1-[4-[2-[(2R)-1-methylpyrrolidin-2-yl]ethoxy]phenyl]-2-phenylpent-1-enyl]phenol
SMILESCN1CCC[C@@H]1CCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C30H35NO3/c1-31-20-5-9-26(31)19-22-34-28-17-13-25(14-18-28)30(24-11-15-27(33)16-12-24)29(10-6-21-32)23-7-3-2-4-8-23/h2-4,7-8,11-18,26,32-33H,5-6,9-10,19-22H2,1H3/b30-29-/t26-/m1/s1
InChIKeyZUSXRJKXJTTXKD-FYUFQVDVSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-5-hydroxy-1-[4-[2-[(2R)-1-methylpyrrolidin-2-yl]ethoxy]phenyl]-2-phenylpent-1-enyl]phenol?
The IUPAC name of 4-[(Z)-5-hydroxy-1-[4-[2-[(2R)-1-methylpyrrolidin-2-yl]ethoxy]phenyl]-2-phenylpent-1-enyl]phenol (CID 138493087) is 4-[(Z)-5-hydroxy-1-[4-[2-[(2R)-1-methylpyrrolidin-2-yl]ethoxy]phenyl]-2-phenylpent-1-enyl]phenol.
What is the SMILES notation for 4-[(Z)-5-hydroxy-1-[4-[2-[(2R)-1-methylpyrrolidin-2-yl]ethoxy]phenyl]-2-phenylpent-1-enyl]phenol?
The canonical SMILES for 4-[(Z)-5-hydroxy-1-[4-[2-[(2R)-1-methylpyrrolidin-2-yl]ethoxy]phenyl]-2-phenylpent-1-enyl]phenol is CN1CCC[C@@H]1CCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(Z)-5-hydroxy-1-[4-[2-[(2R)-1-methylpyrrolidin-2-yl]ethoxy]phenyl]-2-phenylpent-1-enyl]phenol?
The InChIKey is ZUSXRJKXJTTXKD-FYUFQVDVSA-N. The full InChI is InChI=1S/C30H35NO3/c1-31-20-5-9-26(31)19-22-34-28-17-13-25(14-18-28)30(24-11-15-27(33)16-12-24)29(10-6-21-32)23-7-3-2-4-8-23/h2-4,7-8,11-18,26,32-33H,5-6,9-10,19-22H2,1H3/b30-29-/t26-/m1/s1.
What are the key properties of 4-[(Z)-5-hydroxy-1-[4-[2-[(2R)-1-methylpyrrolidin-2-yl]ethoxy]phenyl]-2-phenylpent-1-enyl]phenol?
4-[(Z)-5-hydroxy-1-[4-[2-[(2R)-1-methylpyrrolidin-2-yl]ethoxy]phenyl]-2-phenylpent-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-1-[4-[2-[(2R)-1-methylpyrrolidin-2-yl]ethoxy]phenyl]-2-phenylpent-1-enyl]phenol is sourced from PubChem (CID 138493087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).