2-methoxy-4,6-dimethylbenzonitrile

C10H11NO — CID 50883188

IUPAC2-methoxy-4,6-dimethylbenzonitrile
SMILESCOc1cc(C)cc(C)c1C#N
InChIInChI=1S/C10H11NO/c1-7-4-8(2)9(6-11)10(5-7)12-3/h4-5H,1-3H3
InChIKeyGVBLYHQYKVUOLW-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.18
Rot. Bonds1

About 2-methoxy-4,6-dimethylbenzonitrile

2-methoxy-4,6-dimethylbenzonitrile (PubChem CID 50883188) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-methoxy-4,6-dimethylbenzonitrile.

Molecular Properties

Compound Name2-methoxy-4,6-dimethylbenzonitrile
PubChem CID50883188
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name2-methoxy-4,6-dimethylbenzonitrile
SMILESCOc1cc(C)cc(C)c1C#N
InChIInChI=1S/C10H11NO/c1-7-4-8(2)9(6-11)10(5-7)12-3/h4-5H,1-3H3
InChIKeyGVBLYHQYKVUOLW-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

2,4-dimethoxy-6-methylbenzonitrile
CID 11435258
2-bromo-6-methoxy-4-methylbenzonitrile
CID 131293442
2-methoxy-4,6-dimethylbenzonitrile oxide
CID 13237456
2-methoxy-6-methyl-4-nitrobenzonitrile
CID 171031476
4-cyano-3-methoxy-5-methylbenzoyl chloride
CID 171027009
N'-(2-cyano-3-methoxy-5-methylphenyl)-N,N-dimethylmethanimidamide
CID 90139484
(2-methoxy-4,6-dimethylphenyl)methyl-methylcyanamide
CID 117043386
3-bromo-6-methoxy-2,4-dimethylbenzonitrile
CID 50883121
2-(2-bromoacetyl)-6-methoxy-4-methylbenzonitrile
CID 171027071
4-chloro-2,6-dimethoxybenzonitrile
CID 71485579
3-methoxy-5-methyl-2-sulfanylbenzonitrile
CID 171027051
2-(2-methoxy-4,6-dimethylphenyl)-2-(methylamino)acetonitrile
CID 116955039

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,6-dimethylbenzonitrile?
The IUPAC name of 2-methoxy-4,6-dimethylbenzonitrile (CID 50883188) is 2-methoxy-4,6-dimethylbenzonitrile.
What is the SMILES notation for 2-methoxy-4,6-dimethylbenzonitrile?
The canonical SMILES for 2-methoxy-4,6-dimethylbenzonitrile is COc1cc(C)cc(C)c1C#N.
What is the InChIKey of 2-methoxy-4,6-dimethylbenzonitrile?
The InChIKey is GVBLYHQYKVUOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-7-4-8(2)9(6-11)10(5-7)12-3/h4-5H,1-3H3.
What are the key properties of 2-methoxy-4,6-dimethylbenzonitrile?
2-methoxy-4,6-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 2-methoxy-4,6-dimethylbenzonitrile is sourced from PubChem (CID 50883188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).