2-(3-ethoxyphenoxy)benzonitrile

C15H13NO2 — CID 62336711

IUPAC2-(3-ethoxyphenoxy)benzonitrile
SMILESCCOc1cccc(Oc2ccccc2C#N)c1
InChIInChI=1S/C15H13NO2/c1-2-17-13-7-5-8-14(10-13)18-15-9-4-3-6-12(15)11-16/h3-10H,2H2,1H3
InChIKeyOCILCSHFBGMMNB-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.75
Rot. Bonds4

About 2-(3-ethoxyphenoxy)benzonitrile

2-(3-ethoxyphenoxy)benzonitrile (PubChem CID 62336711) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-(3-ethoxyphenoxy)benzonitrile.

Molecular Properties

Compound Name2-(3-ethoxyphenoxy)benzonitrile
PubChem CID62336711
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name2-(3-ethoxyphenoxy)benzonitrile
SMILESCCOc1cccc(Oc2ccccc2C#N)c1
InChIInChI=1S/C15H13NO2/c1-2-17-13-7-5-8-14(10-13)18-15-9-4-3-6-12(15)11-16/h3-10H,2H2,1H3
InChIKeyOCILCSHFBGMMNB-UHFFFAOYSA-N
XLogP3.75
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-ethoxyphenoxy)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-ethoxyphenoxy)-5-methylbenzonitrile
CID 107928195
2-(3-bromophenoxy)benzonitrile
CID 28602353
3-(3-ethoxyphenoxy)benzonitrile
CID 66843791
2-[3-(difluoromethoxy)phenoxy]benzonitrile
CID 23001279
2-[2-(3-methoxyphenoxy)ethoxy]benzonitrile
CID 22685564
5-amino-2-(3-ethoxyphenoxy)pyridine-3-carbonitrile
CID 62338626
2-amino-3-ethoxybenzonitrile
CID 82014474
2-(2-cyanophenoxy)benzonitrile
CID 13435570
2-[2-(3-ethoxyphenoxy)phenyl]ethanamine
CID 63804354
1-[2-(3-ethoxyphenoxy)phenyl]propan-1-amine
CID 115995673
1-[2-(3-ethoxyphenoxy)phenyl]-N-methylethanamine
CID 62337869
2-chloro-6-(3-ethoxyphenoxy)pyridine-4-carbonitrile
CID 83073226

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenoxy)benzonitrile?
The IUPAC name of 2-(3-ethoxyphenoxy)benzonitrile (CID 62336711) is 2-(3-ethoxyphenoxy)benzonitrile.
What is the SMILES notation for 2-(3-ethoxyphenoxy)benzonitrile?
The canonical SMILES for 2-(3-ethoxyphenoxy)benzonitrile is CCOc1cccc(Oc2ccccc2C#N)c1.
What is the InChIKey of 2-(3-ethoxyphenoxy)benzonitrile?
The InChIKey is OCILCSHFBGMMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-2-17-13-7-5-8-14(10-13)18-15-9-4-3-6-12(15)11-16/h3-10H,2H2,1H3.
What are the key properties of 2-(3-ethoxyphenoxy)benzonitrile?
2-(3-ethoxyphenoxy)benzonitrile has a molecular weight of 239.27 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenoxy)benzonitrile is sourced from PubChem (CID 62336711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).