4-(methyliminomethyl)benzene-1,3-diol

C8H9NO2 — CID 136600311

IUPAC4-(methyliminomethyl)benzene-1,3-diol
SMILESC/N=C/c1ccc(O)cc1O
InChIInChI=1S/C8H9NO2/c1-9-5-6-2-3-7(10)4-8(6)11/h2-5,10-11H,1H3/b9-5+
InChIKeyHNWBMUQLSZGOBG-WEVVVXLNSA-N
MW151.16 g/mol
LogP1.15
Rot. Bonds1

About 4-(methyliminomethyl)benzene-1,3-diol

4-(methyliminomethyl)benzene-1,3-diol (PubChem CID 136600311) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 4-(methyliminomethyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(methyliminomethyl)benzene-1,3-diol
PubChem CID136600311
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name4-(methyliminomethyl)benzene-1,3-diol
SMILESC/N=C/c1ccc(O)cc1O
InChIInChI=1S/C8H9NO2/c1-9-5-6-2-3-7(10)4-8(6)11/h2-5,10-11H,1H3/b9-5+
InChIKeyHNWBMUQLSZGOBG-WEVVVXLNSA-N
XLogP1.15
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-hydroxyiminomethyl]benzene-1,3-diol
CID 135408746
4-[(E)-[4-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]benzene-1,3-diol
CID 136795193
N-[(2,4-dihydroxyphenyl)methylideneamino]-2-methylbut-2-enamide
CID 4531910
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
CID 135576680
4-(octadecyliminomethyl)benzene-1,3-diol
CID 135714970
4-[(2-hydroxyphenyl)iminomethyl]benzene-1,3-diol;propan-2-ol
CID 135578361
zinc 2-(methyliminomethyl)phenol
CID 135422153
4-ethenylbenzene-1,3-diol
CID 10374511
ethane;2-(methyliminomethyl)phenol
CID 136650397
4-[(E)-piperidin-1-yliminomethyl]benzene-1,3-diol
CID 135684063
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanediamide
CID 135648812
CID 155704691
CID 155704691

Frequently Asked Questions

What is the IUPAC name of 4-(methyliminomethyl)benzene-1,3-diol?
The IUPAC name of 4-(methyliminomethyl)benzene-1,3-diol (CID 136600311) is 4-(methyliminomethyl)benzene-1,3-diol.
What is the SMILES notation for 4-(methyliminomethyl)benzene-1,3-diol?
The canonical SMILES for 4-(methyliminomethyl)benzene-1,3-diol is C/N=C/c1ccc(O)cc1O.
What is the InChIKey of 4-(methyliminomethyl)benzene-1,3-diol?
The InChIKey is HNWBMUQLSZGOBG-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H9NO2/c1-9-5-6-2-3-7(10)4-8(6)11/h2-5,10-11H,1H3/b9-5+.
What are the key properties of 4-(methyliminomethyl)benzene-1,3-diol?
4-(methyliminomethyl)benzene-1,3-diol has a molecular weight of 151.16 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methyliminomethyl)benzene-1,3-diol is sourced from PubChem (CID 136600311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).