2-(4-ethyl-2-hydroxyphenoxy)benzonitrile

C15H13NO2 — CID 126961633

IUPAC2-(4-ethyl-2-hydroxyphenoxy)benzonitrile
SMILESCCc1ccc(Oc2ccccc2C#N)c(O)c1
InChIInChI=1S/C15H13NO2/c1-2-11-7-8-15(13(17)9-11)18-14-6-4-3-5-12(14)10-16/h3-9,17H,2H2,1H3
InChIKeySLRQXMSWGWWRRV-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.62
Rot. Bonds3

About 2-(4-ethyl-2-hydroxyphenoxy)benzonitrile

2-(4-ethyl-2-hydroxyphenoxy)benzonitrile (PubChem CID 126961633) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-(4-ethyl-2-hydroxyphenoxy)benzonitrile.

Molecular Properties

Compound Name2-(4-ethyl-2-hydroxyphenoxy)benzonitrile
PubChem CID126961633
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name2-(4-ethyl-2-hydroxyphenoxy)benzonitrile
SMILESCCc1ccc(Oc2ccccc2C#N)c(O)c1
InChIInChI=1S/C15H13NO2/c1-2-11-7-8-15(13(17)9-11)18-14-6-4-3-5-12(14)10-16/h3-9,17H,2H2,1H3
InChIKeySLRQXMSWGWWRRV-UHFFFAOYSA-N
XLogP3.62
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-hydroxyphenoxy)benzonitrile?
The IUPAC name of 2-(4-ethyl-2-hydroxyphenoxy)benzonitrile (CID 126961633) is 2-(4-ethyl-2-hydroxyphenoxy)benzonitrile.
What is the SMILES notation for 2-(4-ethyl-2-hydroxyphenoxy)benzonitrile?
The canonical SMILES for 2-(4-ethyl-2-hydroxyphenoxy)benzonitrile is CCc1ccc(Oc2ccccc2C#N)c(O)c1.
What is the InChIKey of 2-(4-ethyl-2-hydroxyphenoxy)benzonitrile?
The InChIKey is SLRQXMSWGWWRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-2-11-7-8-15(13(17)9-11)18-14-6-4-3-5-12(14)10-16/h3-9,17H,2H2,1H3.
What are the key properties of 2-(4-ethyl-2-hydroxyphenoxy)benzonitrile?
2-(4-ethyl-2-hydroxyphenoxy)benzonitrile has a molecular weight of 239.27 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-hydroxyphenoxy)benzonitrile is sourced from PubChem (CID 126961633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).