3-(phenyliminomethyl)benzene-1,2-diol

C13H11NO2 — CID 693334

IUPAC3-(phenyliminomethyl)benzene-1,2-diol
SMILESOc1cccc(/C=N/c2ccccc2)c1O
InChIInChI=1S/C13H11NO2/c15-12-8-4-5-10(13(12)16)9-14-11-6-2-1-3-7-11/h1-9,15-16H/b14-9+
InChIKeyIKCNVDHSEBASIB-NTEUORMPSA-N
MW213.24 g/mol
LogP2.85
Rot. Bonds2

About 3-(phenyliminomethyl)benzene-1,2-diol

3-(phenyliminomethyl)benzene-1,2-diol (PubChem CID 693334) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-(phenyliminomethyl)benzene-1,2-diol.

Molecular Properties

Compound Name3-(phenyliminomethyl)benzene-1,2-diol
PubChem CID693334
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name3-(phenyliminomethyl)benzene-1,2-diol
SMILESOc1cccc(/C=N/c2ccccc2)c1O
InChIInChI=1S/C13H11NO2/c15-12-8-4-5-10(13(12)16)9-14-11-6-2-1-3-7-11/h1-9,15-16H/b14-9+
InChIKeyIKCNVDHSEBASIB-NTEUORMPSA-N
XLogP2.85
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-salicylidene-o-aminophenol
CID 74479
4-Benzylideneaminophenol
CID 11501
Salicylideneaniline
CID 136621
N,N'-bis(salicylidene)-1,2-phenylenediamine
CID 221227
Alpha-(4-hydroxyphenylimino)-O-cresol
CID 219803
4-((4-Hydroxyphenylimino)methyl)benzene-1,2-diol
CID 720491
3-{[(1-Phenylethyl)imino]methyl}-1,2-benzenediol
CID 3111529
3-[(E)-(naphthalen-1-ylimino)methyl]benzene-1,2-diol
CID 792072
6-Methoxy-alpha-(4-methylphenylimino)-O-cresol
CID 428968
Alpha-(4-hydroxyphenylimino)-P-cresol
CID 473148
2-Methoxy-alpha-(4-methoxyphenylimino)-para-cresol
CID 681370
N,N'-Bis(2-hydroxybenzylidene)-1,4-phenylenediamine
CID 219626

Frequently Asked Questions

What is the IUPAC name of 3-(phenyliminomethyl)benzene-1,2-diol?
The IUPAC name of 3-(phenyliminomethyl)benzene-1,2-diol (CID 693334) is 3-(phenyliminomethyl)benzene-1,2-diol.
What is the SMILES notation for 3-(phenyliminomethyl)benzene-1,2-diol?
The canonical SMILES for 3-(phenyliminomethyl)benzene-1,2-diol is Oc1cccc(/C=N/c2ccccc2)c1O.
What is the InChIKey of 3-(phenyliminomethyl)benzene-1,2-diol?
The InChIKey is IKCNVDHSEBASIB-NTEUORMPSA-N. The full InChI is InChI=1S/C13H11NO2/c15-12-8-4-5-10(13(12)16)9-14-11-6-2-1-3-7-11/h1-9,15-16H/b14-9+.
What are the key properties of 3-(phenyliminomethyl)benzene-1,2-diol?
3-(phenyliminomethyl)benzene-1,2-diol has a molecular weight of 213.24 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenyliminomethyl)benzene-1,2-diol is sourced from PubChem (CID 693334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).