2-(1-methoxyethyl)-6-methylbenzonitrile

C11H13NO — CID 21022052

IUPAC2-(1-methoxyethyl)-6-methylbenzonitrile
SMILESCOC(C)c1cccc(C)c1C#N
InChIInChI=1S/C11H13NO/c1-8-5-4-6-10(9(2)13-3)11(8)7-12/h4-6,9H,1-3H3
InChIKeyQQVHKELQCHCPPW-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.57
Rot. Bonds2

About 2-(1-methoxyethyl)-6-methylbenzonitrile

2-(1-methoxyethyl)-6-methylbenzonitrile (PubChem CID 21022052) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-(1-methoxyethyl)-6-methylbenzonitrile.

Molecular Properties

Compound Name2-(1-methoxyethyl)-6-methylbenzonitrile
PubChem CID21022052
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2-(1-methoxyethyl)-6-methylbenzonitrile
SMILESCOC(C)c1cccc(C)c1C#N
InChIInChI=1S/C11H13NO/c1-8-5-4-6-10(9(2)13-3)11(8)7-12/h4-6,9H,1-3H3
InChIKeyQQVHKELQCHCPPW-UHFFFAOYSA-N
XLogP2.57
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethyl)-6-methylbenzonitrile?
The IUPAC name of 2-(1-methoxyethyl)-6-methylbenzonitrile (CID 21022052) is 2-(1-methoxyethyl)-6-methylbenzonitrile.
What is the SMILES notation for 2-(1-methoxyethyl)-6-methylbenzonitrile?
The canonical SMILES for 2-(1-methoxyethyl)-6-methylbenzonitrile is COC(C)c1cccc(C)c1C#N.
What is the InChIKey of 2-(1-methoxyethyl)-6-methylbenzonitrile?
The InChIKey is QQVHKELQCHCPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-8-5-4-6-10(9(2)13-3)11(8)7-12/h4-6,9H,1-3H3.
What are the key properties of 2-(1-methoxyethyl)-6-methylbenzonitrile?
2-(1-methoxyethyl)-6-methylbenzonitrile has a molecular weight of 175.23 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethyl)-6-methylbenzonitrile is sourced from PubChem (CID 21022052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).