3-[[2-[2-[(2,3-dihydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]benzene-1,2-diol

C26H20N2O4 — CID 1105722

IUPAC3-[[2-[2-[(2,3-dihydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]benzene-1,2-diol
SMILESOc1cccc(/C=N/c2ccccc2-c2ccccc2/N=C/c2cccc(O)c2O)c1O
InChIInChI=1S/C26H20N2O4/c29-23-13-5-7-17(25(23)31)15-27-21-11-3-1-9-19(21)20-10-2-4-12-22(20)28-16-18-8-6-14-24(30)26(18)32/h1-16,29-32H/b27-15+,28-16+
InChIKeyAVBUPRSSBHWJCS-DPCVLPDWSA-N
MW424.46 g/mol
LogP5.68
Rot. Bonds5

About 3-[[2-[2-[(2,3-dihydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]benzene-1,2-diol

3-[[2-[2-[(2,3-dihydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]benzene-1,2-diol (PubChem CID 1105722) has the molecular formula C26H20N2O4 and a molecular weight of 424.46 g/mol. Its IUPAC name is 3-[[2-[2-[(2,3-dihydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]benzene-1,2-diol.

Molecular Properties

Compound Name3-[[2-[2-[(2,3-dihydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]benzene-1,2-diol
PubChem CID1105722
Molecular FormulaC26H20N2O4
Molecular Weight424.46 g/mol
Exact Mass424.14
IUPAC Name3-[[2-[2-[(2,3-dihydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]benzene-1,2-diol
SMILESOc1cccc(/C=N/c2ccccc2-c2ccccc2/N=C/c2cccc(O)c2O)c1O
InChIInChI=1S/C26H20N2O4/c29-23-13-5-7-17(25(23)31)15-27-21-11-3-1-9-19(21)20-10-2-4-12-22(20)28-16-18-8-6-14-24(30)26(18)32/h1-16,29-32H/b27-15+,28-16+
InChIKeyAVBUPRSSBHWJCS-DPCVLPDWSA-N
XLogP5.68
TPSA105.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.46
LogP ≤ 55.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-6-[[2-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]phenol
CID 140501402
2-[(2,3-dihydroxyphenyl)methylideneamino]benzonitrile
CID 717751
2-[(2-hydroxyphenyl)methylideneamino]-6-phenylphenol
CID 136888505
1-(2-methylphenyl)-N-[2-[2-[(2-methylphenyl)methylideneamino]phenyl]phenyl]methanimine
CID 2197917
3-[[2-[3-[2-[(2,3-dihydroxyphenyl)methylideneamino]phenoxy]-2-hydroxypropoxy]phenyl]iminomethyl]benzene-1,2-diol
CID 136908456
copper 2-[(2-hydroxyphenyl)iminomethyl]phenol
CID 135534570
2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;vanadium;hydrate
CID 171376264
zinc 2-[(2-hydroxyphenyl)iminomethyl]phenol
CID 135534569
chromium;bis(2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol);hydrate
CID 139236258
2-[[2-(2-methoxyphenyl)phenyl]iminomethyl]-6-propan-2-ylphenol
CID 136706319
3-[[4-[4-[(2,3-dihydroxyphenyl)methylideneamino]-3-methylphenyl]-2-methylphenyl]iminomethyl]benzene-1,2-diol
CID 1377771
3-[(2-amino-4,5-dimethylphenyl)iminomethyl]benzene-1,2-diol
CID 136863722

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-[(2,3-dihydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]benzene-1,2-diol?
The IUPAC name of 3-[[2-[2-[(2,3-dihydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]benzene-1,2-diol (CID 1105722) is 3-[[2-[2-[(2,3-dihydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]benzene-1,2-diol.
What is the SMILES notation for 3-[[2-[2-[(2,3-dihydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]benzene-1,2-diol?
The canonical SMILES for 3-[[2-[2-[(2,3-dihydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]benzene-1,2-diol is Oc1cccc(/C=N/c2ccccc2-c2ccccc2/N=C/c2cccc(O)c2O)c1O.
What is the InChIKey of 3-[[2-[2-[(2,3-dihydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]benzene-1,2-diol?
The InChIKey is AVBUPRSSBHWJCS-DPCVLPDWSA-N. The full InChI is InChI=1S/C26H20N2O4/c29-23-13-5-7-17(25(23)31)15-27-21-11-3-1-9-19(21)20-10-2-4-12-22(20)28-16-18-8-6-14-24(30)26(18)32/h1-16,29-32H/b27-15+,28-16+.
What are the key properties of 3-[[2-[2-[(2,3-dihydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]benzene-1,2-diol?
3-[[2-[2-[(2,3-dihydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]benzene-1,2-diol has a molecular weight of 424.46 g/mol, XLogP of 5.68, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-[(2,3-dihydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]benzene-1,2-diol is sourced from PubChem (CID 1105722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).