4-(2-methoxyethyl)-2-methylbenzonitrile

C11H13NO — CID 175288707

IUPAC4-(2-methoxyethyl)-2-methylbenzonitrile
SMILESCOCCc1ccc(C#N)c(C)c1
InChIInChI=1S/C11H13NO/c1-9-7-10(5-6-13-2)3-4-11(9)8-12/h3-4,7H,5-6H2,1-2H3
InChIKeyKBESKURDXKMLSS-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.06
Rot. Bonds3

About 4-(2-methoxyethyl)-2-methylbenzonitrile

4-(2-methoxyethyl)-2-methylbenzonitrile (PubChem CID 175288707) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-2-methylbenzonitrile.

Molecular Properties

Compound Name4-(2-methoxyethyl)-2-methylbenzonitrile
PubChem CID175288707
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name4-(2-methoxyethyl)-2-methylbenzonitrile
SMILESCOCCc1ccc(C#N)c(C)c1
InChIInChI=1S/C11H13NO/c1-9-7-10(5-6-13-2)3-4-11(9)8-12/h3-4,7H,5-6H2,1-2H3
InChIKeyKBESKURDXKMLSS-UHFFFAOYSA-N
XLogP2.06
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Methyl 2-(4-cyano-2-methylphenyl)acetate
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4-(3-Fluorooxetan-3-yl)benzonitrile
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4-(Hydroxymethyl)-3-methylbenzonitrile
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4-[4-(Methoxymethyl)cyclohexyl]benzonitrile
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{[3-(Methoxymethyl)-2,4,6-trimethylphenyl]methylene}methane-1,1-dicarbonitrile
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5-(3-Methoxy-2,4-dimethylpent-3-en-2-yl)benzene-1,2,4-tricarbonitrile
CID 10612712
5-(3-Methoxy-2-methylbut-3-en-2-yl)benzene-1,2,4-tricarbonitrile
CID 10634497
4-(3-Methoxy-2,4-dimethylpent-3-en-2-yl)benzonitrile
CID 10680934
4-(3-Methoxy-2-methylbut-3-en-2-yl)benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-2-methylbenzonitrile?
The IUPAC name of 4-(2-methoxyethyl)-2-methylbenzonitrile (CID 175288707) is 4-(2-methoxyethyl)-2-methylbenzonitrile.
What is the SMILES notation for 4-(2-methoxyethyl)-2-methylbenzonitrile?
The canonical SMILES for 4-(2-methoxyethyl)-2-methylbenzonitrile is COCCc1ccc(C#N)c(C)c1.
What is the InChIKey of 4-(2-methoxyethyl)-2-methylbenzonitrile?
The InChIKey is KBESKURDXKMLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-9-7-10(5-6-13-2)3-4-11(9)8-12/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 4-(2-methoxyethyl)-2-methylbenzonitrile?
4-(2-methoxyethyl)-2-methylbenzonitrile has a molecular weight of 175.23 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-2-methylbenzonitrile is sourced from PubChem (CID 175288707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).