2-[4-(1-hydroxyethyl)phenoxy]benzonitrile

C15H13NO2 — CID 43506326

IUPAC2-[4-(1-hydroxyethyl)phenoxy]benzonitrile
SMILESCC(O)c1ccc(Oc2ccccc2C#N)cc1
InChIInChI=1S/C15H13NO2/c1-11(17)12-6-8-14(9-7-12)18-15-5-3-2-4-13(15)10-16/h2-9,11,17H,1H3
InChIKeyQUPQJGZXQYBKII-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.40
Rot. Bonds3

About 2-[4-(1-hydroxyethyl)phenoxy]benzonitrile

2-[4-(1-hydroxyethyl)phenoxy]benzonitrile (PubChem CID 43506326) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[4-(1-hydroxyethyl)phenoxy]benzonitrile.

Molecular Properties

Compound Name2-[4-(1-hydroxyethyl)phenoxy]benzonitrile
PubChem CID43506326
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name2-[4-(1-hydroxyethyl)phenoxy]benzonitrile
SMILESCC(O)c1ccc(Oc2ccccc2C#N)cc1
InChIInChI=1S/C15H13NO2/c1-11(17)12-6-8-14(9-7-12)18-15-5-3-2-4-13(15)10-16/h2-9,11,17H,1H3
InChIKeyQUPQJGZXQYBKII-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-[4-(1-hydroxyethyl)phenoxy]benzonitrile
CID 43609128
1-[4-(2-bromophenoxy)phenyl]ethanol
CID 43506278
(1R)-1-[4-(2-methylsulfanylphenoxy)phenyl]ethanol
CID 63647665
1-[4-(2-tert-butylphenoxy)phenyl]ethanol
CID 43506360
4-(2-cyanophenoxy)benzamide
CID 28825078
2-(2-cyanophenoxy)benzonitrile
CID 13435570
2-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]benzonitrile
CID 78941465
1-(4-phenoxyphenyl)ethanol;hydrochloride
CID 67663526
1-[4-(2-cyanophenoxy)phenyl]-3-(3-methylbutan-2-yl)urea
CID 60576984
2-[4-(methylaminomethyl)phenoxy]benzonitrile;hydrochloride
CID 46736942
4-[4-(1-hydroxyethyl)phenoxy]-3-methoxybenzonitrile
CID 43506373
3-fluoro-4-[4-[(1S)-1-hydroxyethyl]phenoxy]benzonitrile
CID 107666062

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-hydroxyethyl)phenoxy]benzonitrile?
The IUPAC name of 2-[4-(1-hydroxyethyl)phenoxy]benzonitrile (CID 43506326) is 2-[4-(1-hydroxyethyl)phenoxy]benzonitrile.
What is the SMILES notation for 2-[4-(1-hydroxyethyl)phenoxy]benzonitrile?
The canonical SMILES for 2-[4-(1-hydroxyethyl)phenoxy]benzonitrile is CC(O)c1ccc(Oc2ccccc2C#N)cc1.
What is the InChIKey of 2-[4-(1-hydroxyethyl)phenoxy]benzonitrile?
The InChIKey is QUPQJGZXQYBKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-11(17)12-6-8-14(9-7-12)18-15-5-3-2-4-13(15)10-16/h2-9,11,17H,1H3.
What are the key properties of 2-[4-(1-hydroxyethyl)phenoxy]benzonitrile?
2-[4-(1-hydroxyethyl)phenoxy]benzonitrile has a molecular weight of 239.27 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-hydroxyethyl)phenoxy]benzonitrile is sourced from PubChem (CID 43506326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).