4-ethenyl-2-[2-[(5-ethenyl-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol

C20H20N2O2 — CID 156779532

IUPAC4-ethenyl-2-[2-[(5-ethenyl-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
SMILESC=Cc1ccc(O)c(/C=N/CC/N=C/c2cc(C=C)ccc2O)c1
InChIInChI=1S/C20H20N2O2/c1-3-15-5-7-19(23)17(11-15)13-21-9-10-22-14-18-12-16(4-2)6-8-20(18)24/h3-8,11-14,23-24H,1-2,9-10H2/b21-13+,22-14+
InChIKeyPMRGKAVWRJKZFM-JFMUQQRKSA-N
MW320.39 g/mol
LogP3.92
Rot. Bonds7

About 4-ethenyl-2-[2-[(5-ethenyl-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol

4-ethenyl-2-[2-[(5-ethenyl-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol (PubChem CID 156779532) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-ethenyl-2-[2-[(5-ethenyl-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol.

Molecular Properties

Compound Name4-ethenyl-2-[2-[(5-ethenyl-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
PubChem CID156779532
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name4-ethenyl-2-[2-[(5-ethenyl-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
SMILESC=Cc1ccc(O)c(/C=N/CC/N=C/c2cc(C=C)ccc2O)c1
InChIInChI=1S/C20H20N2O2/c1-3-15-5-7-19(23)17(11-15)13-21-9-10-22-14-18-12-16(4-2)6-8-20(18)24/h3-8,11-14,23-24H,1-2,9-10H2/b21-13+,22-14+
InChIKeyPMRGKAVWRJKZFM-JFMUQQRKSA-N
XLogP3.92
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-bis(ethenyl)phenol
CID 18541843
prop-2-enyl 4-hydroxy-3-[2-[(2-hydroxy-5-prop-2-enoxycarbonylphenyl)methylideneamino]ethyliminomethyl]benzoate
CID 136778163
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;yttrium
CID 136641033
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+)
CID 135568472
gold;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 136506148
4-chloro-2-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol
CID 136909314
4-bromo-2-[8-[(5-bromo-2-hydroxyphenyl)methylideneamino]octyliminomethyl]phenol
CID 139081919
2-[4-[(2-hydroxy-5-methylphenyl)methylideneamino]butyliminomethyl]-4-methylphenol
CID 136759942
cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;hydrate
CID 135442959
sodium;cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135544422
2-[2-[[2-hydroxy-5-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]ethyliminomethyl]-4-[(2-methylpropan-2-yl)oxy]phenol
CID 142265879
2-[2-[[2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4-(3-methylbutyl)phenol
CID 137122372

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-[2-[(5-ethenyl-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol?
The IUPAC name of 4-ethenyl-2-[2-[(5-ethenyl-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol (CID 156779532) is 4-ethenyl-2-[2-[(5-ethenyl-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol.
What is the SMILES notation for 4-ethenyl-2-[2-[(5-ethenyl-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol?
The canonical SMILES for 4-ethenyl-2-[2-[(5-ethenyl-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol is C=Cc1ccc(O)c(/C=N/CC/N=C/c2cc(C=C)ccc2O)c1.
What is the InChIKey of 4-ethenyl-2-[2-[(5-ethenyl-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol?
The InChIKey is PMRGKAVWRJKZFM-JFMUQQRKSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-3-15-5-7-19(23)17(11-15)13-21-9-10-22-14-18-12-16(4-2)6-8-20(18)24/h3-8,11-14,23-24H,1-2,9-10H2/b21-13+,22-14+.
What are the key properties of 4-ethenyl-2-[2-[(5-ethenyl-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol?
4-ethenyl-2-[2-[(5-ethenyl-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol has a molecular weight of 320.39 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-[2-[(5-ethenyl-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol is sourced from PubChem (CID 156779532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).