3-(2-ethoxyphenoxy)propanenitrile

C11H13NO2 — CID 2345484

IUPAC3-(2-ethoxyphenoxy)propanenitrile
SMILESCCOc1ccccc1OCCC#N
InChIInChI=1S/C11H13NO2/c1-2-13-10-6-3-4-7-11(10)14-9-5-8-12/h3-4,6-7H,2,5,9H2,1H3
InChIKeySCSIGOQSVVOGON-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.38
Rot. Bonds5

About 3-(2-ethoxyphenoxy)propanenitrile

3-(2-ethoxyphenoxy)propanenitrile (PubChem CID 2345484) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-(2-ethoxyphenoxy)propanenitrile.

Molecular Properties

Compound Name3-(2-ethoxyphenoxy)propanenitrile
PubChem CID2345484
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name3-(2-ethoxyphenoxy)propanenitrile
SMILESCCOc1ccccc1OCCC#N
InChIInChI=1S/C11H13NO2/c1-2-13-10-6-3-4-7-11(10)14-9-5-8-12/h3-4,6-7H,2,5,9H2,1H3
InChIKeySCSIGOQSVVOGON-UHFFFAOYSA-N
XLogP2.38
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-ethoxyphenyl)propanenitrile
CID 53434291
3-(2-ethoxyanilino)propanenitrile
CID 7100
5-(2-ethoxyphenoxy)-2,2-dimethylpentanenitrile
CID 65257214
3-[2-(2-ethoxyphenoxy)ethoxy]-4-methoxybenzonitrile
CID 20993127
4-[2-(2-chlorophenoxy)ethoxy]-3-ethoxybenzonitrile
CID 2985466
4-(2-ethoxyphenyl)but-3-enenitrile
CID 170799590
N,N-bis(2-cyanoethyl)-2-ethoxybenzamide
CID 2207652
2,6-diethoxybenzonitrile
CID 3018118
2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile
CID 65493238
4-(2-ethoxyphenoxy)-2-(2-fluorophenyl)butanenitrile
CID 82137283
5-(2-ethoxyphenoxy)-2-ethyl-2-(methylamino)pentanenitrile
CID 106804515
O-(2-ethoxyphenyl)hydroxylamine
CID 70279336

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenoxy)propanenitrile?
The IUPAC name of 3-(2-ethoxyphenoxy)propanenitrile (CID 2345484) is 3-(2-ethoxyphenoxy)propanenitrile.
What is the SMILES notation for 3-(2-ethoxyphenoxy)propanenitrile?
The canonical SMILES for 3-(2-ethoxyphenoxy)propanenitrile is CCOc1ccccc1OCCC#N.
What is the InChIKey of 3-(2-ethoxyphenoxy)propanenitrile?
The InChIKey is SCSIGOQSVVOGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-13-10-6-3-4-7-11(10)14-9-5-8-12/h3-4,6-7H,2,5,9H2,1H3.
What are the key properties of 3-(2-ethoxyphenoxy)propanenitrile?
3-(2-ethoxyphenoxy)propanenitrile has a molecular weight of 191.23 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenoxy)propanenitrile is sourced from PubChem (CID 2345484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).