4-[(E)-2-(3-aminophenyl)ethenyl]-2-(4-ethoxy-2-pyridinyl)phenol

C21H20N2O2 — CID 155527563

IUPAC4-[(E)-2-(3-aminophenyl)ethenyl]-2-(4-ethoxy-2-pyridinyl)phenol
SMILESCCOc1ccnc(-c2cc(/C=C/c3cccc(N)c3)ccc2O)c1
InChIInChI=1S/C21H20N2O2/c1-2-25-18-10-11-23-20(14-18)19-13-16(8-9-21(19)24)7-6-15-4-3-5-17(22)12-15/h3-14,24H,2,22H2,1H3/b7-6+
InChIKeyRITDXJVHDQVTKG-VOTSOKGWSA-N
MW332.40 g/mol
LogP4.61
Rot. Bonds5

About 4-[(E)-2-(3-aminophenyl)ethenyl]-2-(4-ethoxy-2-pyridinyl)phenol

4-[(E)-2-(3-aminophenyl)ethenyl]-2-(4-ethoxy-2-pyridinyl)phenol (PubChem CID 155527563) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-[(E)-2-(3-aminophenyl)ethenyl]-2-(4-ethoxy-2-pyridinyl)phenol.

Molecular Properties

Compound Name4-[(E)-2-(3-aminophenyl)ethenyl]-2-(4-ethoxy-2-pyridinyl)phenol
PubChem CID155527563
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name4-[(E)-2-(3-aminophenyl)ethenyl]-2-(4-ethoxy-2-pyridinyl)phenol
SMILESCCOc1ccnc(-c2cc(/C=C/c3cccc(N)c3)ccc2O)c1
InChIInChI=1S/C21H20N2O2/c1-2-25-18-10-11-23-20(14-18)19-13-16(8-9-21(19)24)7-6-15-4-3-5-17(22)12-15/h3-14,24H,2,22H2,1H3/b7-6+
InChIKeyRITDXJVHDQVTKG-VOTSOKGWSA-N
XLogP4.61
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(3-aminophenyl)ethenyl]-2-(4-ethoxy-2-pyridinyl)phenol?
The IUPAC name of 4-[(E)-2-(3-aminophenyl)ethenyl]-2-(4-ethoxy-2-pyridinyl)phenol (CID 155527563) is 4-[(E)-2-(3-aminophenyl)ethenyl]-2-(4-ethoxy-2-pyridinyl)phenol.
What is the SMILES notation for 4-[(E)-2-(3-aminophenyl)ethenyl]-2-(4-ethoxy-2-pyridinyl)phenol?
The canonical SMILES for 4-[(E)-2-(3-aminophenyl)ethenyl]-2-(4-ethoxy-2-pyridinyl)phenol is CCOc1ccnc(-c2cc(/C=C/c3cccc(N)c3)ccc2O)c1.
What is the InChIKey of 4-[(E)-2-(3-aminophenyl)ethenyl]-2-(4-ethoxy-2-pyridinyl)phenol?
The InChIKey is RITDXJVHDQVTKG-VOTSOKGWSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-2-25-18-10-11-23-20(14-18)19-13-16(8-9-21(19)24)7-6-15-4-3-5-17(22)12-15/h3-14,24H,2,22H2,1H3/b7-6+.
What are the key properties of 4-[(E)-2-(3-aminophenyl)ethenyl]-2-(4-ethoxy-2-pyridinyl)phenol?
4-[(E)-2-(3-aminophenyl)ethenyl]-2-(4-ethoxy-2-pyridinyl)phenol has a molecular weight of 332.40 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(3-aminophenyl)ethenyl]-2-(4-ethoxy-2-pyridinyl)phenol is sourced from PubChem (CID 155527563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).