3-hydroxy-2-methoxy-4-methylbenzonitrile

C9H9NO2 — CID 117276163

IUPAC3-hydroxy-2-methoxy-4-methylbenzonitrile
SMILESCOc1c(C#N)ccc(C)c1O
InChIInChI=1S/C9H9NO2/c1-6-3-4-7(5-10)9(12-2)8(6)11/h3-4,11H,1-2H3
InChIKeyTZMUJIDXOPUVFM-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.58
Rot. Bonds1

About 3-hydroxy-2-methoxy-4-methylbenzonitrile

3-hydroxy-2-methoxy-4-methylbenzonitrile (PubChem CID 117276163) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 3-hydroxy-2-methoxy-4-methylbenzonitrile.

Molecular Properties

Compound Name3-hydroxy-2-methoxy-4-methylbenzonitrile
PubChem CID117276163
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name3-hydroxy-2-methoxy-4-methylbenzonitrile
SMILESCOc1c(C#N)ccc(C)c1O
InChIInChI=1S/C9H9NO2/c1-6-3-4-7(5-10)9(12-2)8(6)11/h3-4,11H,1-2H3
InChIKeyTZMUJIDXOPUVFM-UHFFFAOYSA-N
XLogP1.58
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-hydroxy-2-methoxybenzonitrile
CID 117328110
1,5-dimethoxynaphthalene-2,6-dicarbonitrile
CID 169050323
2-chloro-3-methoxy-4-methylbenzonitrile
CID 117278975
3-fluoro-4-hydroxy-2-methoxybenzonitrile
CID 117276441
3-fluoro-2-hydroxy-4-methylbenzonitrile
CID 117275995
2-(cyanomethyl)-3-methoxy-4-methylbenzonitrile
CID 171027165
3-(2-chloroacetyl)-4-hydroxy-2-methoxybenzonitrile
CID 171020200
3,4-diamino-2-methoxybenzonitrile
CID 67059560
4-fluoro-2-methoxybenzene-1,3-dicarbonitrile
CID 118901962
methyl 2-(4-cyano-3-methoxy-2-methylphenyl)acetate
CID 77230692
2,3-dimethoxy-4-(trifluoromethyl)benzonitrile
CID 117333541
3-acetyl-2-hydroxy-4-methylbenzonitrile
CID 171020901

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methoxy-4-methylbenzonitrile?
The IUPAC name of 3-hydroxy-2-methoxy-4-methylbenzonitrile (CID 117276163) is 3-hydroxy-2-methoxy-4-methylbenzonitrile.
What is the SMILES notation for 3-hydroxy-2-methoxy-4-methylbenzonitrile?
The canonical SMILES for 3-hydroxy-2-methoxy-4-methylbenzonitrile is COc1c(C#N)ccc(C)c1O.
What is the InChIKey of 3-hydroxy-2-methoxy-4-methylbenzonitrile?
The InChIKey is TZMUJIDXOPUVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-6-3-4-7(5-10)9(12-2)8(6)11/h3-4,11H,1-2H3.
What are the key properties of 3-hydroxy-2-methoxy-4-methylbenzonitrile?
3-hydroxy-2-methoxy-4-methylbenzonitrile has a molecular weight of 163.18 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methoxy-4-methylbenzonitrile is sourced from PubChem (CID 117276163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).