4-[1-(4-hydroxyphenyl)-2-phenyl-3-(1,2,4-triazol-1-yl)prop-1-enyl]phenol

C23H19N3O2 — CID 129137253

IUPAC4-[1-(4-hydroxyphenyl)-2-phenyl-3-(1,2,4-triazol-1-yl)prop-1-enyl]phenol
SMILESOc1ccc(C(=C(Cn2cncn2)c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C23H19N3O2/c27-20-10-6-18(7-11-20)23(19-8-12-21(28)13-9-19)22(14-26-16-24-15-25-26)17-4-2-1-3-5-17/h1-13,15-16,27-28H,14H2
InChIKeyCBLDUCOEYFZZBF-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.35
Rot. Bonds5

About 4-[1-(4-hydroxyphenyl)-2-phenyl-3-(1,2,4-triazol-1-yl)prop-1-enyl]phenol

4-[1-(4-hydroxyphenyl)-2-phenyl-3-(1,2,4-triazol-1-yl)prop-1-enyl]phenol (PubChem CID 129137253) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-[1-(4-hydroxyphenyl)-2-phenyl-3-(1,2,4-triazol-1-yl)prop-1-enyl]phenol.

Molecular Properties

Compound Name4-[1-(4-hydroxyphenyl)-2-phenyl-3-(1,2,4-triazol-1-yl)prop-1-enyl]phenol
PubChem CID129137253
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name4-[1-(4-hydroxyphenyl)-2-phenyl-3-(1,2,4-triazol-1-yl)prop-1-enyl]phenol
SMILESOc1ccc(C(=C(Cn2cncn2)c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C23H19N3O2/c27-20-10-6-18(7-11-20)23(19-8-12-21(28)13-9-19)22(14-26-16-24-15-25-26)17-4-2-1-3-5-17/h1-13,15-16,27-28H,14H2
InChIKeyCBLDUCOEYFZZBF-UHFFFAOYSA-N
XLogP4.35
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[1-(4-hydroxyphenyl)-2-phenyl-3-(1,2,4-triazol-1-yl)prop-1-enyl]phenol?
The IUPAC name of 4-[1-(4-hydroxyphenyl)-2-phenyl-3-(1,2,4-triazol-1-yl)prop-1-enyl]phenol (CID 129137253) is 4-[1-(4-hydroxyphenyl)-2-phenyl-3-(1,2,4-triazol-1-yl)prop-1-enyl]phenol.
What is the SMILES notation for 4-[1-(4-hydroxyphenyl)-2-phenyl-3-(1,2,4-triazol-1-yl)prop-1-enyl]phenol?
The canonical SMILES for 4-[1-(4-hydroxyphenyl)-2-phenyl-3-(1,2,4-triazol-1-yl)prop-1-enyl]phenol is Oc1ccc(C(=C(Cn2cncn2)c2ccccc2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[1-(4-hydroxyphenyl)-2-phenyl-3-(1,2,4-triazol-1-yl)prop-1-enyl]phenol?
The InChIKey is CBLDUCOEYFZZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c27-20-10-6-18(7-11-20)23(19-8-12-21(28)13-9-19)22(14-26-16-24-15-25-26)17-4-2-1-3-5-17/h1-13,15-16,27-28H,14H2.
What are the key properties of 4-[1-(4-hydroxyphenyl)-2-phenyl-3-(1,2,4-triazol-1-yl)prop-1-enyl]phenol?
4-[1-(4-hydroxyphenyl)-2-phenyl-3-(1,2,4-triazol-1-yl)prop-1-enyl]phenol has a molecular weight of 369.42 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxyphenyl)-2-phenyl-3-(1,2,4-triazol-1-yl)prop-1-enyl]phenol is sourced from PubChem (CID 129137253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).