2-(benzylideneamino)benzene-1,4-diol

C13H11NO2 — CID 23329258

IUPAC2-(benzylideneamino)benzene-1,4-diol
SMILESOc1ccc(O)c(/N=C/c2ccccc2)c1
InChIInChI=1S/C13H11NO2/c15-11-6-7-13(16)12(8-11)14-9-10-4-2-1-3-5-10/h1-9,15-16H/b14-9+
InChIKeyNDAQTAJPJALKKL-NTEUORMPSA-N
MW213.24 g/mol
LogP2.85
Rot. Bonds2

About 2-(benzylideneamino)benzene-1,4-diol

2-(benzylideneamino)benzene-1,4-diol (PubChem CID 23329258) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-(benzylideneamino)benzene-1,4-diol.

Molecular Properties

Compound Name2-(benzylideneamino)benzene-1,4-diol
PubChem CID23329258
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name2-(benzylideneamino)benzene-1,4-diol
SMILESOc1ccc(O)c(/N=C/c2ccccc2)c1
InChIInChI=1S/C13H11NO2/c15-11-6-7-13(16)12(8-11)14-9-10-4-2-1-3-5-10/h1-9,15-16H/b14-9+
InChIKeyNDAQTAJPJALKKL-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_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4,6-bis(benzylideneamino)benzene-1,3-diol
CID 58816982
4-[[2-[(4-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 135633900
2-[(4-phenylphenyl)methylideneamino]phenol
CID 59227908
2-[4-(2,5-dihydroxyphenyl)iminobutylideneamino]benzene-1,4-diol;iron
CID 102601007
2-[(4-phenylmethoxyphenyl)methylideneamino]phenol
CID 561470
4-nitro-2-[(4-nitrophenyl)methylideneamino]phenol
CID 4006870
2-(2-phenylethenyl)benzene-1,4-diol
CID 54196246
4-[(2-hydroxyphenyl)iminomethyl]benzene-1,3-diol;propan-2-ol
CID 135578361
2-[(E)-1-hydroxy-3-phenylprop-2-enyl]benzene-1,4-diol
CID 25224834
N,1-diphenylmethanimine
CID 10858
4-[(3-phenylphenyl)methylideneamino]phenol
CID 4862070
N-(2-diphenylphosphanylphenyl)-1-phenylmethanimine
CID 139103390

Frequently Asked Questions

What is the IUPAC name of 2-(benzylideneamino)benzene-1,4-diol?
The IUPAC name of 2-(benzylideneamino)benzene-1,4-diol (CID 23329258) is 2-(benzylideneamino)benzene-1,4-diol.
What is the SMILES notation for 2-(benzylideneamino)benzene-1,4-diol?
The canonical SMILES for 2-(benzylideneamino)benzene-1,4-diol is Oc1ccc(O)c(/N=C/c2ccccc2)c1.
What is the InChIKey of 2-(benzylideneamino)benzene-1,4-diol?
The InChIKey is NDAQTAJPJALKKL-NTEUORMPSA-N. The full InChI is InChI=1S/C13H11NO2/c15-11-6-7-13(16)12(8-11)14-9-10-4-2-1-3-5-10/h1-9,15-16H/b14-9+.
What are the key properties of 2-(benzylideneamino)benzene-1,4-diol?
2-(benzylideneamino)benzene-1,4-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 2-(benzylideneamino)benzene-1,4-diol is sourced from PubChem (CID 23329258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).