2-(methoxymethoxy)-6-methylbenzonitrile

C10H11NO2 — CID 58963842

IUPAC2-(methoxymethoxy)-6-methylbenzonitrile
SMILESCOCOc1cccc(C)c1C#N
InChIInChI=1S/C10H11NO2/c1-8-4-3-5-10(9(8)6-11)13-7-12-2/h3-5H,7H2,1-2H3
InChIKeyHWJPETKDLWPZEP-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.85
Rot. Bonds3

About 2-(methoxymethoxy)-6-methylbenzonitrile

2-(methoxymethoxy)-6-methylbenzonitrile (PubChem CID 58963842) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-(methoxymethoxy)-6-methylbenzonitrile.

Molecular Properties

Compound Name2-(methoxymethoxy)-6-methylbenzonitrile
PubChem CID58963842
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name2-(methoxymethoxy)-6-methylbenzonitrile
SMILESCOCOc1cccc(C)c1C#N
InChIInChI=1S/C10H11NO2/c1-8-4-3-5-10(9(8)6-11)13-7-12-2/h3-5H,7H2,1-2H3
InChIKeyHWJPETKDLWPZEP-UHFFFAOYSA-N
XLogP1.85
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(methoxymethoxy)benzonitrile
CID 10352018
2-fluoro-3-(methoxymethoxy)benzonitrile
CID 142496816
2,6-diethoxybenzonitrile
CID 3018118
1-(methoxymethoxy)-3-methyl-2-phenylbenzene
CID 58214661
2-[4-(4-methoxyphenyl)phenoxy]-6-methylbenzonitrile
CID 59383233
ethane;methane;2-[4-[(4-methoxyphenyl)methyl]phenoxy]-6-methylbenzonitrile
CID 160793966
2-[4-[4-[2-cyano-3-(4-methoxyphenoxy)phenoxy]phenyl]phenoxy]-6-methylbenzonitrile
CID 170296414
2-(2,2-dimethylpropyl)-1-(methoxymethoxy)-3-methylbenzene
CID 163974624
2-ethyl-1,3-bis(methoxymethoxy)benzene
CID 141101427
2-fluoro-6-(4-methoxybutoxy)benzonitrile
CID 115777027
2-fluoro-6-[3-(methoxymethoxymethyl)-2-methylidenebut-3-enoxy]benzonitrile
CID 143156955
2-[4-[4-(2-cyano-3-methylphenoxy)benzoyl]phenoxy]-6-methylbenzonitrile
CID 155642413

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethoxy)-6-methylbenzonitrile?
The IUPAC name of 2-(methoxymethoxy)-6-methylbenzonitrile (CID 58963842) is 2-(methoxymethoxy)-6-methylbenzonitrile.
What is the SMILES notation for 2-(methoxymethoxy)-6-methylbenzonitrile?
The canonical SMILES for 2-(methoxymethoxy)-6-methylbenzonitrile is COCOc1cccc(C)c1C#N.
What is the InChIKey of 2-(methoxymethoxy)-6-methylbenzonitrile?
The InChIKey is HWJPETKDLWPZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-8-4-3-5-10(9(8)6-11)13-7-12-2/h3-5H,7H2,1-2H3.
What are the key properties of 2-(methoxymethoxy)-6-methylbenzonitrile?
2-(methoxymethoxy)-6-methylbenzonitrile has a molecular weight of 177.20 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethoxy)-6-methylbenzonitrile is sourced from PubChem (CID 58963842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).