4-[(2-hydroxyphenyl)iminomethyl]benzene-1,3-diol;propan-2-ol

C16H19NO4 — CID 135578361

IUPAC4-[(2-hydroxyphenyl)iminomethyl]benzene-1,3-diol;propan-2-ol
SMILESCC(C)O.Oc1ccc(/C=N/c2ccccc2O)c(O)c1
InChIInChI=1S/C13H11NO3.C3H8O/c15-10-6-5-9(13(17)7-10)8-14-11-3-1-2-4-12(11)16;1-3(2)4/h1-8,15-17H;3-4H,1-2H3/b14-8+;
InChIKeyGXQXAXKHASWFMD-XHIXCECLSA-N
MW289.33 g/mol
LogP2.94
Rot. Bonds2

About 4-[(2-hydroxyphenyl)iminomethyl]benzene-1,3-diol;propan-2-ol

4-[(2-hydroxyphenyl)iminomethyl]benzene-1,3-diol;propan-2-ol (PubChem CID 135578361) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-[(2-hydroxyphenyl)iminomethyl]benzene-1,3-diol;propan-2-ol.

Molecular Properties

Compound Name4-[(2-hydroxyphenyl)iminomethyl]benzene-1,3-diol;propan-2-ol
PubChem CID135578361
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name4-[(2-hydroxyphenyl)iminomethyl]benzene-1,3-diol;propan-2-ol
SMILESCC(C)O.Oc1ccc(/C=N/c2ccccc2O)c(O)c1
InChIInChI=1S/C13H11NO3.C3H8O/c15-10-6-5-9(13(17)7-10)8-14-11-3-1-2-4-12(11)16;1-3(2)4/h1-8,15-17H;3-4H,1-2H3/b14-8+;
InChIKeyGXQXAXKHASWFMD-XHIXCECLSA-N
XLogP2.94
TPSA93.28 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

copper 2-[(2-hydroxyphenyl)iminomethyl]phenol
CID 135534570
zinc 2-[(2-hydroxyphenyl)iminomethyl]phenol
CID 135534569
4-(methyliminomethyl)benzene-1,3-diol
CID 136600311
copper;5-hydroxy-2-[[2-[(4-hydroxy-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;methanol
CID 139078092
4-[N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]-C-methylcarbonimidoyl]benzene-1,3-diol
CID 136734563
2-[(2-methylphenyl)methylideneamino]phenol
CID 11009223
2-[2-[(2,4-dihydroxyphenyl)methylideneamino]phenoxy]benzonitrile
CID 136711049
4-[(E)-hydroxyiminomethyl]benzene-1,3-diol
CID 135408746
2-[(2-bromophenyl)iminomethyl]-5-methoxyphenol
CID 137224260
4-[(4-anilinophenyl)iminomethyl]benzene-1,3-diol
CID 788003
4-[[(1R,2S)-2-hydroxy-1,2-diphenylethyl]iminomethyl]benzene-1,3-diol
CID 136694888
chromium;bis(2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol);hydrate
CID 139236258

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxyphenyl)iminomethyl]benzene-1,3-diol;propan-2-ol?
The IUPAC name of 4-[(2-hydroxyphenyl)iminomethyl]benzene-1,3-diol;propan-2-ol (CID 135578361) is 4-[(2-hydroxyphenyl)iminomethyl]benzene-1,3-diol;propan-2-ol.
What is the SMILES notation for 4-[(2-hydroxyphenyl)iminomethyl]benzene-1,3-diol;propan-2-ol?
The canonical SMILES for 4-[(2-hydroxyphenyl)iminomethyl]benzene-1,3-diol;propan-2-ol is CC(C)O.Oc1ccc(/C=N/c2ccccc2O)c(O)c1.
What is the InChIKey of 4-[(2-hydroxyphenyl)iminomethyl]benzene-1,3-diol;propan-2-ol?
The InChIKey is GXQXAXKHASWFMD-XHIXCECLSA-N. The full InChI is InChI=1S/C13H11NO3.C3H8O/c15-10-6-5-9(13(17)7-10)8-14-11-3-1-2-4-12(11)16;1-3(2)4/h1-8,15-17H;3-4H,1-2H3/b14-8+;.
What are the key properties of 4-[(2-hydroxyphenyl)iminomethyl]benzene-1,3-diol;propan-2-ol?
4-[(2-hydroxyphenyl)iminomethyl]benzene-1,3-diol;propan-2-ol has a molecular weight of 289.33 g/mol, XLogP of 2.94, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxyphenyl)iminomethyl]benzene-1,3-diol;propan-2-ol is sourced from PubChem (CID 135578361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).