4-[(4-hydroxyphenyl)iminomethyl]benzene-1,3-diol

C13H11NO3 — CID 969273

IUPAC4-[(4-hydroxyphenyl)iminomethyl]benzene-1,3-diol
SMILESOc1ccc(/N=C/c2ccc(O)cc2O)cc1
InChIInChI=1S/C13H11NO3/c15-11-5-2-10(3-6-11)14-8-9-1-4-12(16)7-13(9)17/h1-8,15-17H/b14-8+
InChIKeyOXKHCZODIOUJKP-RIYZIHGNSA-N
MW229.24 g/mol
LogP2.55
Rot. Bonds2

About 4-[(4-hydroxyphenyl)iminomethyl]benzene-1,3-diol

4-[(4-hydroxyphenyl)iminomethyl]benzene-1,3-diol (PubChem CID 969273) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is 4-[(4-hydroxyphenyl)iminomethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(4-hydroxyphenyl)iminomethyl]benzene-1,3-diol
PubChem CID969273
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Name4-[(4-hydroxyphenyl)iminomethyl]benzene-1,3-diol
SMILESOc1ccc(/N=C/c2ccc(O)cc2O)cc1
InChIInChI=1S/C13H11NO3/c15-11-5-2-10(3-6-11)14-8-9-1-4-12(16)7-13(9)17/h1-8,15-17H/b14-8+
InChIKeyOXKHCZODIOUJKP-RIYZIHGNSA-N
XLogP2.55
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-salicylidene-o-aminophenol
CID 74479
Salicylideneaniline
CID 136621
4-Benzylideneaminophenol
CID 11501
Alpha-(4-hydroxyphenylimino)-O-cresol
CID 219803
Alpha-(4-methoxyphenylimino)-O-cresol
CID 221219
Phenol, 4-(((4-methoxyphenyl)methylene)amino)-
CID 97286
4-((4-Hydroxyphenylimino)methyl)benzene-1,2-diol
CID 720491
Benzene-1,3-diol, 4-(2-hydroxyphenyliminomethyl)-
CID 556793
Alpha-(4-hydroxyphenylimino)-P-cresol
CID 473148
N,N'-Bis(2-hydroxybenzylidene)-1,4-phenylenediamine
CID 219626
4-{(E)-[(4-methylphenyl)imino]methyl}phenol
CID 611166
Alpha-(4-methoxyphenylimino)-P-cresol
CID 785111

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyphenyl)iminomethyl]benzene-1,3-diol?
The IUPAC name of 4-[(4-hydroxyphenyl)iminomethyl]benzene-1,3-diol (CID 969273) is 4-[(4-hydroxyphenyl)iminomethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(4-hydroxyphenyl)iminomethyl]benzene-1,3-diol?
The canonical SMILES for 4-[(4-hydroxyphenyl)iminomethyl]benzene-1,3-diol is Oc1ccc(/N=C/c2ccc(O)cc2O)cc1.
What is the InChIKey of 4-[(4-hydroxyphenyl)iminomethyl]benzene-1,3-diol?
The InChIKey is OXKHCZODIOUJKP-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H11NO3/c15-11-5-2-10(3-6-11)14-8-9-1-4-12(16)7-13(9)17/h1-8,15-17H/b14-8+.
What are the key properties of 4-[(4-hydroxyphenyl)iminomethyl]benzene-1,3-diol?
4-[(4-hydroxyphenyl)iminomethyl]benzene-1,3-diol has a molecular weight of 229.24 g/mol, XLogP of 2.55, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyphenyl)iminomethyl]benzene-1,3-diol is sourced from PubChem (CID 969273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).