1-phenyl-2-(4-phenylphenoxy)-3-pyridin-3-ylprop-2-en-1-ol

C26H21NO2 — CID 54041153

IUPAC1-phenyl-2-(4-phenylphenoxy)-3-pyridin-3-ylprop-2-en-1-ol
SMILESOC(C(=Cc1cccnc1)Oc1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C26H21NO2/c28-26(23-11-5-2-6-12-23)25(18-20-8-7-17-27-19-20)29-24-15-13-22(14-16-24)21-9-3-1-4-10-21/h1-19,26,28H
InChIKeyLMLDXQZJTVMWGJ-UHFFFAOYSA-N
MW379.46 g/mol
LogP5.90
Rot. Bonds6

About 1-phenyl-2-(4-phenylphenoxy)-3-pyridin-3-ylprop-2-en-1-ol

1-phenyl-2-(4-phenylphenoxy)-3-pyridin-3-ylprop-2-en-1-ol (PubChem CID 54041153) has the molecular formula C26H21NO2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-phenyl-2-(4-phenylphenoxy)-3-pyridin-3-ylprop-2-en-1-ol.

Molecular Properties

Compound Name1-phenyl-2-(4-phenylphenoxy)-3-pyridin-3-ylprop-2-en-1-ol
PubChem CID54041153
Molecular FormulaC26H21NO2
Molecular Weight379.46 g/mol
Exact Mass379.16
IUPAC Name1-phenyl-2-(4-phenylphenoxy)-3-pyridin-3-ylprop-2-en-1-ol
SMILESOC(C(=Cc1cccnc1)Oc1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C26H21NO2/c28-26(23-11-5-2-6-12-23)25(18-20-8-7-17-27-19-20)29-24-15-13-22(14-16-24)21-9-3-1-4-10-21/h1-19,26,28H
InChIKeyLMLDXQZJTVMWGJ-UHFFFAOYSA-N
XLogP5.90
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(4-phenylphenoxy)-3-pyridin-3-ylprop-2-en-1-ol?
The IUPAC name of 1-phenyl-2-(4-phenylphenoxy)-3-pyridin-3-ylprop-2-en-1-ol (CID 54041153) is 1-phenyl-2-(4-phenylphenoxy)-3-pyridin-3-ylprop-2-en-1-ol.
What is the SMILES notation for 1-phenyl-2-(4-phenylphenoxy)-3-pyridin-3-ylprop-2-en-1-ol?
The canonical SMILES for 1-phenyl-2-(4-phenylphenoxy)-3-pyridin-3-ylprop-2-en-1-ol is OC(C(=Cc1cccnc1)Oc1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(4-phenylphenoxy)-3-pyridin-3-ylprop-2-en-1-ol?
The InChIKey is LMLDXQZJTVMWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO2/c28-26(23-11-5-2-6-12-23)25(18-20-8-7-17-27-19-20)29-24-15-13-22(14-16-24)21-9-3-1-4-10-21/h1-19,26,28H.
What are the key properties of 1-phenyl-2-(4-phenylphenoxy)-3-pyridin-3-ylprop-2-en-1-ol?
1-phenyl-2-(4-phenylphenoxy)-3-pyridin-3-ylprop-2-en-1-ol has a molecular weight of 379.46 g/mol, XLogP of 5.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(4-phenylphenoxy)-3-pyridin-3-ylprop-2-en-1-ol is sourced from PubChem (CID 54041153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).