3-[(3-hydroxyphenyl)iminomethyl]phenol

C13H11NO2 — CID 577821

IUPAC3-[(3-hydroxyphenyl)iminomethyl]phenol
SMILESOc1cccc(/C=N/c2cccc(O)c2)c1
InChIInChI=1S/C13H11NO2/c15-12-5-1-3-10(7-12)9-14-11-4-2-6-13(16)8-11/h1-9,15-16H/b14-9+
InChIKeyCLSOUTALBQBZGU-NTEUORMPSA-N
MW213.24 g/mol
LogP2.85
Rot. Bonds2

About 3-[(3-hydroxyphenyl)iminomethyl]phenol

3-[(3-hydroxyphenyl)iminomethyl]phenol (PubChem CID 577821) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-[(3-hydroxyphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name3-[(3-hydroxyphenyl)iminomethyl]phenol
PubChem CID577821
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name3-[(3-hydroxyphenyl)iminomethyl]phenol
SMILESOc1cccc(/C=N/c2cccc(O)c2)c1
InChIInChI=1S/C13H11NO2/c15-12-5-1-3-10(7-12)9-14-11-4-2-6-13(16)8-11/h1-9,15-16H/b14-9+
InChIKeyCLSOUTALBQBZGU-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': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxyphenyl)iminomethyl]phenol?
The IUPAC name of 3-[(3-hydroxyphenyl)iminomethyl]phenol (CID 577821) is 3-[(3-hydroxyphenyl)iminomethyl]phenol.
What is the SMILES notation for 3-[(3-hydroxyphenyl)iminomethyl]phenol?
The canonical SMILES for 3-[(3-hydroxyphenyl)iminomethyl]phenol is Oc1cccc(/C=N/c2cccc(O)c2)c1.
What is the InChIKey of 3-[(3-hydroxyphenyl)iminomethyl]phenol?
The InChIKey is CLSOUTALBQBZGU-NTEUORMPSA-N. The full InChI is InChI=1S/C13H11NO2/c15-12-5-1-3-10(7-12)9-14-11-4-2-6-13(16)8-11/h1-9,15-16H/b14-9+.
What are the key properties of 3-[(3-hydroxyphenyl)iminomethyl]phenol?
3-[(3-hydroxyphenyl)iminomethyl]phenol 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-[(3-hydroxyphenyl)iminomethyl]phenol is sourced from PubChem (CID 577821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).