4-[(Z)-4-azido-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol

C26H28N4O2 — CID 24825446

IUPAC4-[(Z)-4-azido-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
SMILESCN(C)CCOc1ccc(/C(=C(/CCN=[N+]=[N-])c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C26H28N4O2/c1-30(2)18-19-32-24-14-10-22(11-15-24)26(21-8-12-23(31)13-9-21)25(16-17-28-29-27)20-6-4-3-5-7-20/h3-15,31H,16-19H2,1-2H3/b26-25-
InChIKeyIXAUZZLGXQQMMN-QPLCGJKRSA-N
MW428.54 g/mol
LogP5.99
Rot. Bonds10

About 4-[(Z)-4-azido-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol

4-[(Z)-4-azido-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol (PubChem CID 24825446) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 4-[(Z)-4-azido-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol.

Molecular Properties

Compound Name4-[(Z)-4-azido-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
PubChem CID24825446
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name4-[(Z)-4-azido-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
SMILESCN(C)CCOc1ccc(/C(=C(/CCN=[N+]=[N-])c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C26H28N4O2/c1-30(2)18-19-32-24-14-10-22(11-15-24)26(21-8-12-23(31)13-9-21)25(16-17-28-29-27)20-6-4-3-5-7-20/h3-15,31H,16-19H2,1-2H3/b26-25-
InChIKeyIXAUZZLGXQQMMN-QPLCGJKRSA-N
XLogP5.99
TPSA81.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.54
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-4-azido-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol?
The IUPAC name of 4-[(Z)-4-azido-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol (CID 24825446) is 4-[(Z)-4-azido-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol.
What is the SMILES notation for 4-[(Z)-4-azido-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol?
The canonical SMILES for 4-[(Z)-4-azido-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol is CN(C)CCOc1ccc(/C(=C(/CCN=[N+]=[N-])c2ccccc2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(Z)-4-azido-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol?
The InChIKey is IXAUZZLGXQQMMN-QPLCGJKRSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-30(2)18-19-32-24-14-10-22(11-15-24)26(21-8-12-23(31)13-9-21)25(16-17-28-29-27)20-6-4-3-5-7-20/h3-15,31H,16-19H2,1-2H3/b26-25-.
What are the key properties of 4-[(Z)-4-azido-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol?
4-[(Z)-4-azido-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol has a molecular weight of 428.54 g/mol, XLogP of 5.99, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-4-azido-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol is sourced from PubChem (CID 24825446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).