4-(ethoxymethyl)benzonitrile

C10H11NO — CID 24698684

IUPAC4-(ethoxymethyl)benzonitrile
SMILESCCOCc1ccc(C#N)cc1
InChIInChI=1S/C10H11NO/c1-2-12-8-10-5-3-9(7-11)4-6-10/h3-6H,2,8H2,1H3
InChIKeyQMZCNWHTYYXMDF-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.09
Rot. Bonds3

About 4-(ethoxymethyl)benzonitrile

4-(ethoxymethyl)benzonitrile (PubChem CID 24698684) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 4-(ethoxymethyl)benzonitrile.

Molecular Properties

Compound Name4-(ethoxymethyl)benzonitrile
PubChem CID24698684
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name4-(ethoxymethyl)benzonitrile
SMILESCCOCc1ccc(C#N)cc1
InChIInChI=1S/C10H11NO/c1-2-12-8-10-5-3-9(7-11)4-6-10/h3-6H,2,8H2,1H3
InChIKeyQMZCNWHTYYXMDF-UHFFFAOYSA-N
XLogP2.09
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)benzonitrile?
The IUPAC name of 4-(ethoxymethyl)benzonitrile (CID 24698684) is 4-(ethoxymethyl)benzonitrile.
What is the SMILES notation for 4-(ethoxymethyl)benzonitrile?
The canonical SMILES for 4-(ethoxymethyl)benzonitrile is CCOCc1ccc(C#N)cc1.
What is the InChIKey of 4-(ethoxymethyl)benzonitrile?
The InChIKey is QMZCNWHTYYXMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-2-12-8-10-5-3-9(7-11)4-6-10/h3-6H,2,8H2,1H3.
What are the key properties of 4-(ethoxymethyl)benzonitrile?
4-(ethoxymethyl)benzonitrile has a molecular weight of 161.20 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)benzonitrile is sourced from PubChem (CID 24698684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).