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

C16H12N2O2 — CID 109412889

IUPAC4-[2-(4-cyanophenoxy)-1-hydroxyethyl]benzonitrile
SMILESN#Cc1ccc(OCC(O)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C16H12N2O2/c17-9-12-1-5-14(6-2-12)16(19)11-20-15-7-3-13(10-18)4-8-15/h1-8,16,19H,11H2
InChIKeyNDZKPARIGGXNNO-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.54
Rot. Bonds4

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

4-[2-(4-cyanophenoxy)-1-hydroxyethyl]benzonitrile (PubChem CID 109412889) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-[2-(4-cyanophenoxy)-1-hydroxyethyl]benzonitrile.

Molecular Properties

Compound Name4-[2-(4-cyanophenoxy)-1-hydroxyethyl]benzonitrile
PubChem CID109412889
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name4-[2-(4-cyanophenoxy)-1-hydroxyethyl]benzonitrile
SMILESN#Cc1ccc(OCC(O)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C16H12N2O2/c17-9-12-1-5-14(6-2-12)16(19)11-20-15-7-3-13(10-18)4-8-15/h1-8,16,19H,11H2
InChIKeyNDZKPARIGGXNNO-UHFFFAOYSA-N
XLogP2.54
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2,6-dichlorophenoxy)-1-hydroxyethyl]benzonitrile
CID 109414040
4-(3-bromo-2-hydroxypropoxy)benzonitrile
CID 100978622
2-[4-(2-hydroxy-2-phenylethoxy)phenyl]acetonitrile
CID 60730786
4-[1-hydroxy-2-(2-oxo-4-propylchromen-7-yl)oxyethyl]benzonitrile
CID 109413972
(3R)-4-(4-cyanophenoxy)-3-hydroxybutanoic acid
CID 69173053
2-(4-aminophenoxy)-1-(4-propan-2-ylphenyl)ethanol
CID 46307232
4-[1-hydroxy-2-(4-methoxyphenoxy)ethyl]phenol
CID 117244685
4-[(2R)-2-hydroxyhexoxy]benzonitrile
CID 139777729
3-chloro-4-[2-(4-cyanophenyl)-2-hydroxyethoxy]-5-ethoxybenzonitrile
CID 154751151
4-[2-(4-aminophenyl)-2-hydroxyethoxy]-3-fluorobenzonitrile
CID 107670256
4-[(1R,2S)-2-(4-cyanophenyl)-1,2-dihydroxyethyl]benzonitrile
CID 10912374
3-(4-cyanophenyl)-3-hydroxypropanoic acid
CID 89195276

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-cyanophenoxy)-1-hydroxyethyl]benzonitrile?
The IUPAC name of 4-[2-(4-cyanophenoxy)-1-hydroxyethyl]benzonitrile (CID 109412889) is 4-[2-(4-cyanophenoxy)-1-hydroxyethyl]benzonitrile.
What is the SMILES notation for 4-[2-(4-cyanophenoxy)-1-hydroxyethyl]benzonitrile?
The canonical SMILES for 4-[2-(4-cyanophenoxy)-1-hydroxyethyl]benzonitrile is N#Cc1ccc(OCC(O)c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-[2-(4-cyanophenoxy)-1-hydroxyethyl]benzonitrile?
The InChIKey is NDZKPARIGGXNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c17-9-12-1-5-14(6-2-12)16(19)11-20-15-7-3-13(10-18)4-8-15/h1-8,16,19H,11H2.
What are the key properties of 4-[2-(4-cyanophenoxy)-1-hydroxyethyl]benzonitrile?
4-[2-(4-cyanophenoxy)-1-hydroxyethyl]benzonitrile has a molecular weight of 264.28 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-cyanophenoxy)-1-hydroxyethyl]benzonitrile is sourced from PubChem (CID 109412889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).