4-[(Z)-4-azido-1,2-diphenylbut-1-enyl]phenol

C22H19N3O — CID 118887290

IUPAC4-[(Z)-4-azido-1,2-diphenylbut-1-enyl]phenol
SMILES[N-]=[N+]=NCC/C(=C(\c1ccccc1)c1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C22H19N3O/c23-25-24-16-15-21(17-7-3-1-4-8-17)22(18-9-5-2-6-10-18)19-11-13-20(26)14-12-19/h1-14,26H,15-16H2/b22-21-
InChIKeyUEYPDJFIPOAEQO-DQRAZIAOSA-N
MW341.41 g/mol
LogP6.05
Rot. Bonds6

About 4-[(Z)-4-azido-1,2-diphenylbut-1-enyl]phenol

4-[(Z)-4-azido-1,2-diphenylbut-1-enyl]phenol (PubChem CID 118887290) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-[(Z)-4-azido-1,2-diphenylbut-1-enyl]phenol.

Molecular Properties

Compound Name4-[(Z)-4-azido-1,2-diphenylbut-1-enyl]phenol
PubChem CID118887290
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name4-[(Z)-4-azido-1,2-diphenylbut-1-enyl]phenol
SMILES[N-]=[N+]=NCC/C(=C(\c1ccccc1)c1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C22H19N3O/c23-25-24-16-15-21(17-7-3-1-4-8-17)22(18-9-5-2-6-10-18)19-11-13-20(26)14-12-19/h1-14,26H,15-16H2/b22-21-
InChIKeyUEYPDJFIPOAEQO-DQRAZIAOSA-N
XLogP6.05
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

4-[(Z)-1-(4-methylphenyl)-2-phenylbut-1-enyl]phenol
CID 10567272
1-(azidomethyl)-4-[2-[4-(azidomethyl)phenyl]-1,2-diphenylethenyl]benzene
CID 72565768
4,4-bis(4-hydroxyphenyl)-3-phenylbut-3-enenitrile
CID 129137301
4-[10-(2-aminoethylamino)-1-(4-hydroxyphenyl)-2-phenyldec-1-enyl]phenol
CID 100918693
1-(2-azidoethoxy)-4-[(E)-2-[4-(2-azidoethoxy)phenyl]-1,2-diphenylethenyl]benzene
CID 53348773
acetic acid;4-(1,2-diphenylbut-1-enyl)phenol
CID 71332420
4-[1-(4-hydroxyphenyl)-2-(4-methylphenyl)pent-1-enyl]phenol
CID 143470528
1-(6-azidohexoxy)-4-[(E)-2-[4-(6-azidohexoxy)phenyl]-1,2-diphenylethenyl]benzene
CID 102424524
4-[(Z)-2-phenyl-1-(4-propan-2-ylphenyl)but-1-enyl]phenol
CID 177122959
4-[1-[4-(2-aminoethoxy)phenyl]-4-chloro-1-phenylbut-1-en-2-yl]phenol
CID 165015784
phenol;1,2,2-triphenylethenylbenzene
CID 159416986
4-[2-[4-(hydroxymethyl)phenyl]-1-(4-hydroxyphenyl)-2-phenylethenyl]phenol
CID 175920876

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-4-azido-1,2-diphenylbut-1-enyl]phenol?
The IUPAC name of 4-[(Z)-4-azido-1,2-diphenylbut-1-enyl]phenol (CID 118887290) is 4-[(Z)-4-azido-1,2-diphenylbut-1-enyl]phenol.
What is the SMILES notation for 4-[(Z)-4-azido-1,2-diphenylbut-1-enyl]phenol?
The canonical SMILES for 4-[(Z)-4-azido-1,2-diphenylbut-1-enyl]phenol is [N-]=[N+]=NCC/C(=C(\c1ccccc1)c1ccc(O)cc1)c1ccccc1.
What is the InChIKey of 4-[(Z)-4-azido-1,2-diphenylbut-1-enyl]phenol?
The InChIKey is UEYPDJFIPOAEQO-DQRAZIAOSA-N. The full InChI is InChI=1S/C22H19N3O/c23-25-24-16-15-21(17-7-3-1-4-8-17)22(18-9-5-2-6-10-18)19-11-13-20(26)14-12-19/h1-14,26H,15-16H2/b22-21-.
What are the key properties of 4-[(Z)-4-azido-1,2-diphenylbut-1-enyl]phenol?
4-[(Z)-4-azido-1,2-diphenylbut-1-enyl]phenol has a molecular weight of 341.41 g/mol, XLogP of 6.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-4-azido-1,2-diphenylbut-1-enyl]phenol is sourced from PubChem (CID 118887290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).