3-methoxy-2,6-dimethylbenzonitrile

C10H11NO — CID 118999351

IUPAC3-methoxy-2,6-dimethylbenzonitrile
SMILESCOc1ccc(C)c(C#N)c1C
InChIInChI=1S/C10H11NO/c1-7-4-5-10(12-3)8(2)9(7)6-11/h4-5H,1-3H3
InChIKeyUQXKXSVWWADJTM-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.18
Rot. Bonds1

About 3-methoxy-2,6-dimethylbenzonitrile

3-methoxy-2,6-dimethylbenzonitrile (PubChem CID 118999351) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 3-methoxy-2,6-dimethylbenzonitrile.

Molecular Properties

Compound Name3-methoxy-2,6-dimethylbenzonitrile
PubChem CID118999351
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name3-methoxy-2,6-dimethylbenzonitrile
SMILESCOc1ccc(C)c(C#N)c1C
InChIInChI=1S/C10H11NO/c1-7-4-5-10(12-3)8(2)9(7)6-11/h4-5H,1-3H3
InChIKeyUQXKXSVWWADJTM-UHFFFAOYSA-N
XLogP2.18
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-cyano-4-methoxy-3-methylphenyl)-2,6-dimethylbenzonitrile
CID 175636958
ethane;2-fluoro-3-methoxy-6-methylbenzonitrile
CID 144958009
3-(3-amino-2,2,4,4-tetramethylcyclobutyl)oxy-2,6-dimethylbenzonitrile
CID 166063037
3-methoxy-5-methyl-1-benzothiophene-4-carbonitrile
CID 131197251
3-bromo-6-methoxy-2,4-dimethylbenzonitrile
CID 50883121
2-methoxy-4,6-dimethylbenzonitrile
CID 50883188
2,4-dimethoxy-6-methylbenzonitrile
CID 11435258
6-methoxy-4-methylquinoline-5-carbonitrile
CID 82573234
6-amino-3-ethoxy-2-methylbenzonitrile
CID 82014812
2-amino-6-bromo-3-methoxybenzonitrile
CID 82013372
3-chloro-4-methoxy-2-methylbenzonitrile
CID 163388900
CID 174527216
CID 174527216

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,6-dimethylbenzonitrile?
The IUPAC name of 3-methoxy-2,6-dimethylbenzonitrile (CID 118999351) is 3-methoxy-2,6-dimethylbenzonitrile.
What is the SMILES notation for 3-methoxy-2,6-dimethylbenzonitrile?
The canonical SMILES for 3-methoxy-2,6-dimethylbenzonitrile is COc1ccc(C)c(C#N)c1C.
What is the InChIKey of 3-methoxy-2,6-dimethylbenzonitrile?
The InChIKey is UQXKXSVWWADJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-7-4-5-10(12-3)8(2)9(7)6-11/h4-5H,1-3H3.
What are the key properties of 3-methoxy-2,6-dimethylbenzonitrile?
3-methoxy-2,6-dimethylbenzonitrile has a molecular weight of 161.20 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,6-dimethylbenzonitrile is sourced from PubChem (CID 118999351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).