4-methanimidoyl-5-methylbenzene-1,3-diol

C8H9NO2 — CID 142579272

IUPAC4-methanimidoyl-5-methylbenzene-1,3-diol
SMILES[H]/N=C/c1c(C)cc(O)cc1O
InChIInChI=1S/C8H9NO2/c1-5-2-6(10)3-8(11)7(5)4-9/h2-4,9-11H,1H3/b9-4+
InChIKeyQWBLHOQASOVISX-RUDMXATFSA-N
MW151.16 g/mol
LogP1.40
Rot. Bonds1

About 4-methanimidoyl-5-methylbenzene-1,3-diol

4-methanimidoyl-5-methylbenzene-1,3-diol (PubChem CID 142579272) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 4-methanimidoyl-5-methylbenzene-1,3-diol.

Molecular Properties

Compound Name4-methanimidoyl-5-methylbenzene-1,3-diol
PubChem CID142579272
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name4-methanimidoyl-5-methylbenzene-1,3-diol
SMILES[H]/N=C/c1c(C)cc(O)cc1O
InChIInChI=1S/C8H9NO2/c1-5-2-6(10)3-8(11)7(5)4-9/h2-4,9-11H,1H3/b9-4+
InChIKeyQWBLHOQASOVISX-RUDMXATFSA-N
XLogP1.40
TPSA64.31 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-trihydroxybenzaldehyde;2,4,6-trimethylbenzaldehyde
CID 159352487
2-hydroxy-4-methoxy-6-methylbenzaldehyde
CID 596815
2-[(E)-2-(2,4,6-trihydroxyphenyl)ethenyl]benzene-1,3,5-triol
CID 10221223
(2-ethenyl-4,6-dimethylphenyl)methanimine
CID 142023097
5-amino-4-methanimidoyl-2-methylphenol
CID 164586972
4-methanimidoylphenol
CID 135768597
5-methanimidoyl-2-methoxyphenol
CID 23221891
ethane;2-methanimidoyl-3,4,5-trimethylaniline
CID 169182413
3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenol;ethane;3-methylpyrrolidine
CID 142525112
methane;3,4,5-trimethylphenol
CID 174273113
bis(2,4-dihydroxy-6-methylphenyl)methanone
CID 23364960
2-(3,4,5-trimethylphenyl)benzene-1,3,5-triol
CID 101299580

Frequently Asked Questions

What is the IUPAC name of 4-methanimidoyl-5-methylbenzene-1,3-diol?
The IUPAC name of 4-methanimidoyl-5-methylbenzene-1,3-diol (CID 142579272) is 4-methanimidoyl-5-methylbenzene-1,3-diol.
What is the SMILES notation for 4-methanimidoyl-5-methylbenzene-1,3-diol?
The canonical SMILES for 4-methanimidoyl-5-methylbenzene-1,3-diol is [H]/N=C/c1c(C)cc(O)cc1O.
What is the InChIKey of 4-methanimidoyl-5-methylbenzene-1,3-diol?
The InChIKey is QWBLHOQASOVISX-RUDMXATFSA-N. The full InChI is InChI=1S/C8H9NO2/c1-5-2-6(10)3-8(11)7(5)4-9/h2-4,9-11H,1H3/b9-4+.
What are the key properties of 4-methanimidoyl-5-methylbenzene-1,3-diol?
4-methanimidoyl-5-methylbenzene-1,3-diol has a molecular weight of 151.16 g/mol, XLogP of 1.40, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methanimidoyl-5-methylbenzene-1,3-diol is sourced from PubChem (CID 142579272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).