2-(4-hydroxy-3-prop-2-enylphenyl)-6-(phenyliminomethyl)-4-prop-2-enylphenol

C25H23NO2 — CID 135965900

IUPAC2-(4-hydroxy-3-prop-2-enylphenyl)-6-(phenyliminomethyl)-4-prop-2-enylphenol
SMILESC=CCc1cc(/C=N/c2ccccc2)c(O)c(-c2ccc(O)c(CC=C)c2)c1
InChIInChI=1S/C25H23NO2/c1-3-8-18-14-21(17-26-22-10-6-5-7-11-22)25(28)23(15-18)19-12-13-24(27)20(16-19)9-4-2/h3-7,10-17,27-28H,1-2,8-9H2/b26-17+
InChIKeyVJABHFNRDJIXCG-YZSQISJMSA-N
MW369.46 g/mol
LogP5.97
Rot. Bonds7

About 2-(4-hydroxy-3-prop-2-enylphenyl)-6-(phenyliminomethyl)-4-prop-2-enylphenol

2-(4-hydroxy-3-prop-2-enylphenyl)-6-(phenyliminomethyl)-4-prop-2-enylphenol (PubChem CID 135965900) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is 2-(4-hydroxy-3-prop-2-enylphenyl)-6-(phenyliminomethyl)-4-prop-2-enylphenol.

Molecular Properties

Compound Name2-(4-hydroxy-3-prop-2-enylphenyl)-6-(phenyliminomethyl)-4-prop-2-enylphenol
PubChem CID135965900
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC Name2-(4-hydroxy-3-prop-2-enylphenyl)-6-(phenyliminomethyl)-4-prop-2-enylphenol
SMILESC=CCc1cc(/C=N/c2ccccc2)c(O)c(-c2ccc(O)c(CC=C)c2)c1
InChIInChI=1S/C25H23NO2/c1-3-8-18-14-21(17-26-22-10-6-5-7-11-22)25(28)23(15-18)19-12-13-24(27)20(16-19)9-4-2/h3-7,10-17,27-28H,1-2,8-9H2/b26-17+
InChIKeyVJABHFNRDJIXCG-YZSQISJMSA-N
XLogP5.97
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-prop-2-enylphenyl)-6-(phenyliminomethyl)-4-prop-2-enylphenol?
The IUPAC name of 2-(4-hydroxy-3-prop-2-enylphenyl)-6-(phenyliminomethyl)-4-prop-2-enylphenol (CID 135965900) is 2-(4-hydroxy-3-prop-2-enylphenyl)-6-(phenyliminomethyl)-4-prop-2-enylphenol.
What is the SMILES notation for 2-(4-hydroxy-3-prop-2-enylphenyl)-6-(phenyliminomethyl)-4-prop-2-enylphenol?
The canonical SMILES for 2-(4-hydroxy-3-prop-2-enylphenyl)-6-(phenyliminomethyl)-4-prop-2-enylphenol is C=CCc1cc(/C=N/c2ccccc2)c(O)c(-c2ccc(O)c(CC=C)c2)c1.
What is the InChIKey of 2-(4-hydroxy-3-prop-2-enylphenyl)-6-(phenyliminomethyl)-4-prop-2-enylphenol?
The InChIKey is VJABHFNRDJIXCG-YZSQISJMSA-N. The full InChI is InChI=1S/C25H23NO2/c1-3-8-18-14-21(17-26-22-10-6-5-7-11-22)25(28)23(15-18)19-12-13-24(27)20(16-19)9-4-2/h3-7,10-17,27-28H,1-2,8-9H2/b26-17+.
What are the key properties of 2-(4-hydroxy-3-prop-2-enylphenyl)-6-(phenyliminomethyl)-4-prop-2-enylphenol?
2-(4-hydroxy-3-prop-2-enylphenyl)-6-(phenyliminomethyl)-4-prop-2-enylphenol has a molecular weight of 369.46 g/mol, XLogP of 5.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-prop-2-enylphenyl)-6-(phenyliminomethyl)-4-prop-2-enylphenol is sourced from PubChem (CID 135965900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).