3-(3-ethylphenoxy)benzonitrile

C15H13NO — CID 66843456

IUPAC3-(3-ethylphenoxy)benzonitrile
SMILESCCc1cccc(Oc2cccc(C#N)c2)c1
InChIInChI=1S/C15H13NO/c1-2-12-5-3-7-14(9-12)17-15-8-4-6-13(10-15)11-16/h3-10H,2H2,1H3
InChIKeyOBCJCFUSNGHKAD-UHFFFAOYSA-N
MW223.27 g/mol
LogP3.91
Rot. Bonds3

About 3-(3-ethylphenoxy)benzonitrile

3-(3-ethylphenoxy)benzonitrile (PubChem CID 66843456) has the molecular formula C15H13NO and a molecular weight of 223.27 g/mol. Its IUPAC name is 3-(3-ethylphenoxy)benzonitrile.

Molecular Properties

Compound Name3-(3-ethylphenoxy)benzonitrile
PubChem CID66843456
Molecular FormulaC15H13NO
Molecular Weight223.27 g/mol
Exact Mass223.10
IUPAC Name3-(3-ethylphenoxy)benzonitrile
SMILESCCc1cccc(Oc2cccc(C#N)c2)c1
InChIInChI=1S/C15H13NO/c1-2-12-5-3-7-14(9-12)17-15-8-4-6-13(10-15)11-16/h3-10H,2H2,1H3
InChIKeyOBCJCFUSNGHKAD-UHFFFAOYSA-N
XLogP3.91
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-ethoxyphenoxy)benzonitrile
CID 66843791
2-amino-5-(3-ethylphenoxy)benzonitrile
CID 113324087
2-bromo-6-(3-ethylphenoxy)benzonitrile
CID 114881566
3-[3-(dimethylamino)phenoxy]benzonitrile
CID 102818049
methyl 3-(3-cyanophenoxy)benzoate
CID 139818102
1-[3-(3-ethylphenoxy)phenyl]propan-2-amine
CID 63942734
3-[2-(3-phenoxyphenyl)acetyl]benzonitrile
CID 2824051
3-[(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)oxy]benzonitrile
CID 11680414
1-ethyl-3-(4-nitrophenoxy)benzene
CID 22968899
3-propylbenzonitrile
CID 18415311
1-(3-cyanophenyl)-3-[2-(3-ethylphenoxy)ethyl]urea
CID 112971990
3-[3-(chloromethyl)phenoxy]-4-methylbenzonitrile
CID 107659207

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylphenoxy)benzonitrile?
The IUPAC name of 3-(3-ethylphenoxy)benzonitrile (CID 66843456) is 3-(3-ethylphenoxy)benzonitrile.
What is the SMILES notation for 3-(3-ethylphenoxy)benzonitrile?
The canonical SMILES for 3-(3-ethylphenoxy)benzonitrile is CCc1cccc(Oc2cccc(C#N)c2)c1.
What is the InChIKey of 3-(3-ethylphenoxy)benzonitrile?
The InChIKey is OBCJCFUSNGHKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-2-12-5-3-7-14(9-12)17-15-8-4-6-13(10-15)11-16/h3-10H,2H2,1H3.
What are the key properties of 3-(3-ethylphenoxy)benzonitrile?
3-(3-ethylphenoxy)benzonitrile has a molecular weight of 223.27 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylphenoxy)benzonitrile is sourced from PubChem (CID 66843456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).