2-hydroxy-2-(4-phenoxyphenyl)acetonitrile

C14H11NO2 — CID 11436051

IUPAC2-hydroxy-2-(4-phenoxyphenyl)acetonitrile
SMILESN#CC(O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C14H11NO2/c15-10-14(16)11-6-8-13(9-7-11)17-12-4-2-1-3-5-12/h1-9,14,16H
InChIKeyVDFMGGBUOZRVAV-UHFFFAOYSA-N
MW225.25 g/mol
LogP3.04
Rot. Bonds3

About 2-hydroxy-2-(4-phenoxyphenyl)acetonitrile

2-hydroxy-2-(4-phenoxyphenyl)acetonitrile (PubChem CID 11436051) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-hydroxy-2-(4-phenoxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-hydroxy-2-(4-phenoxyphenyl)acetonitrile
PubChem CID11436051
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name2-hydroxy-2-(4-phenoxyphenyl)acetonitrile
SMILESN#CC(O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C14H11NO2/c15-10-14(16)11-6-8-13(9-7-11)17-12-4-2-1-3-5-12/h1-9,14,16H
InChIKeyVDFMGGBUOZRVAV-UHFFFAOYSA-N
XLogP3.04
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanohydrins', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydroxy-3-(4-phenoxyphenyl)propanenitrile
CID 171871202
2-hydroxy-2-(4-phenylmethoxyphenyl)acetonitrile
CID 15557528
1-(4-phenoxyphenyl)ethanol;hydrochloride
CID 67663526
2-hydroxy-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetonitrile
CID 12895748
[4-[cyano(hydroxy)methyl]phenyl] acetate
CID 57475214
2-hydroxy-2-[3-(3-methoxyphenoxy)phenyl]acetonitrile
CID 54380272
(1S)-2-amino-1-(4-phenoxyphenyl)ethanol
CID 39247565
dimethylamino-(4-phenoxyphenyl)methanol
CID 116909552
(3S)-3-amino-3-(4-phenoxyphenyl)propanenitrile
CID 171260053
(1R,2R)-1-fluoro-1-(4-phenoxyphenyl)propan-2-ol
CID 122372141
(3R)-3-hydroxy-4-(4-phenoxyphenyl)butanenitrile
CID 125466058
(2R)-2-(3-phenoxyphenyl)-2-phenylacetonitrile
CID 129383217

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(4-phenoxyphenyl)acetonitrile?
The IUPAC name of 2-hydroxy-2-(4-phenoxyphenyl)acetonitrile (CID 11436051) is 2-hydroxy-2-(4-phenoxyphenyl)acetonitrile.
What is the SMILES notation for 2-hydroxy-2-(4-phenoxyphenyl)acetonitrile?
The canonical SMILES for 2-hydroxy-2-(4-phenoxyphenyl)acetonitrile is N#CC(O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-hydroxy-2-(4-phenoxyphenyl)acetonitrile?
The InChIKey is VDFMGGBUOZRVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c15-10-14(16)11-6-8-13(9-7-11)17-12-4-2-1-3-5-12/h1-9,14,16H.
What are the key properties of 2-hydroxy-2-(4-phenoxyphenyl)acetonitrile?
2-hydroxy-2-(4-phenoxyphenyl)acetonitrile has a molecular weight of 225.25 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(4-phenoxyphenyl)acetonitrile is sourced from PubChem (CID 11436051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).