2-[[2-[2-[2-[(2-hydroxyphenyl)methylideneamino]phenoxy]ethoxy]phenyl]iminomethyl]phenol

C28H24N2O4 — CID 3742462

IUPAC2-[[2-[2-[2-[(2-hydroxyphenyl)methylideneamino]phenoxy]ethoxy]phenyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1ccccc1OCCOc1ccccc1/N=C/c1ccccc1O
InChIInChI=1S/C28H24N2O4/c31-25-13-5-1-9-21(25)19-29-23-11-3-7-15-27(23)33-17-18-34-28-16-8-4-12-24(28)30-20-22-10-2-6-14-26(22)32/h1-16,19-20,31-32H,17-18H2/b29-19+,30-20+
InChIKeyOZHISLPAEQTLMV-CZYCKNNWSA-N
MW452.51 g/mol
LogP6.06
Rot. Bonds9

About 2-[[2-[2-[2-[(2-hydroxyphenyl)methylideneamino]phenoxy]ethoxy]phenyl]iminomethyl]phenol

2-[[2-[2-[2-[(2-hydroxyphenyl)methylideneamino]phenoxy]ethoxy]phenyl]iminomethyl]phenol (PubChem CID 3742462) has the molecular formula C28H24N2O4 and a molecular weight of 452.51 g/mol. Its IUPAC name is 2-[[2-[2-[2-[(2-hydroxyphenyl)methylideneamino]phenoxy]ethoxy]phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[2-[2-[2-[(2-hydroxyphenyl)methylideneamino]phenoxy]ethoxy]phenyl]iminomethyl]phenol
PubChem CID3742462
Molecular FormulaC28H24N2O4
Molecular Weight452.51 g/mol
Exact Mass452.17
IUPAC Name2-[[2-[2-[2-[(2-hydroxyphenyl)methylideneamino]phenoxy]ethoxy]phenyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1ccccc1OCCOc1ccccc1/N=C/c1ccccc1O
InChIInChI=1S/C28H24N2O4/c31-25-13-5-1-9-21(25)19-29-23-11-3-7-15-27(23)33-17-18-34-28-16-8-4-12-24(28)30-20-22-10-2-6-14-26(22)32/h1-16,19-20,31-32H,17-18H2/b29-19+,30-20+
InChIKeyOZHISLPAEQTLMV-CZYCKNNWSA-N
XLogP6.06
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.51
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[[2-[2-[2-[2-[(2-hydroxyphenyl)methylideneamino]phenoxy]ethoxy]ethoxy]phenyl]iminomethyl]phenol
CID 136857641
2-[[2-[2-[2-[2-[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]iminomethyl]-4-nitrophenol
CID 3429758
copper 2-[(2-hydroxyphenyl)iminomethyl]phenol
CID 135534570
2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;vanadium;hydrate
CID 171376264
chromium;bis(2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol);hydrate
CID 139236258
zinc 2-[(2-hydroxyphenyl)iminomethyl]phenol
CID 135534569
zinc;methanol;2-[[2-[2-[2-[(2-oxidophenyl)iminomethyl]phenoxy]ethoxy]phenyl]methylideneamino]phenolate
CID 139175016
3-[[2-[3-[2-[(2,3-dihydroxyphenyl)methylideneamino]phenoxy]-2-hydroxypropoxy]phenyl]iminomethyl]benzene-1,2-diol
CID 136908456
2-[[2-[3-[2-(2-hydroxyphenyl)benzimidazol-1-yl]propoxy]phenyl]iminomethyl]phenol
CID 139080641
1-(2-nitrophenyl)-N-[2-[2-[2-[2-[2-[(2-nitrophenyl)methylideneamino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanimine
CID 3758923
2-[(3,4,5-tridodecoxyphenyl)iminomethyl]phenol
CID 136820001
2-[[2-phenylmethoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 137172088

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-[2-[(2-hydroxyphenyl)methylideneamino]phenoxy]ethoxy]phenyl]iminomethyl]phenol?
The IUPAC name of 2-[[2-[2-[2-[(2-hydroxyphenyl)methylideneamino]phenoxy]ethoxy]phenyl]iminomethyl]phenol (CID 3742462) is 2-[[2-[2-[2-[(2-hydroxyphenyl)methylideneamino]phenoxy]ethoxy]phenyl]iminomethyl]phenol.
What is the SMILES notation for 2-[[2-[2-[2-[(2-hydroxyphenyl)methylideneamino]phenoxy]ethoxy]phenyl]iminomethyl]phenol?
The canonical SMILES for 2-[[2-[2-[2-[(2-hydroxyphenyl)methylideneamino]phenoxy]ethoxy]phenyl]iminomethyl]phenol is Oc1ccccc1/C=N/c1ccccc1OCCOc1ccccc1/N=C/c1ccccc1O.
What is the InChIKey of 2-[[2-[2-[2-[(2-hydroxyphenyl)methylideneamino]phenoxy]ethoxy]phenyl]iminomethyl]phenol?
The InChIKey is OZHISLPAEQTLMV-CZYCKNNWSA-N. The full InChI is InChI=1S/C28H24N2O4/c31-25-13-5-1-9-21(25)19-29-23-11-3-7-15-27(23)33-17-18-34-28-16-8-4-12-24(28)30-20-22-10-2-6-14-26(22)32/h1-16,19-20,31-32H,17-18H2/b29-19+,30-20+.
What are the key properties of 2-[[2-[2-[2-[(2-hydroxyphenyl)methylideneamino]phenoxy]ethoxy]phenyl]iminomethyl]phenol?
2-[[2-[2-[2-[(2-hydroxyphenyl)methylideneamino]phenoxy]ethoxy]phenyl]iminomethyl]phenol has a molecular weight of 452.51 g/mol, XLogP of 6.06, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-[2-[(2-hydroxyphenyl)methylideneamino]phenoxy]ethoxy]phenyl]iminomethyl]phenol is sourced from PubChem (CID 3742462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).