2-hydroxy-2-(4-phenylmethoxyphenyl)acetonitrile

C15H13NO2 — CID 15557528

IUPAC2-hydroxy-2-(4-phenylmethoxyphenyl)acetonitrile
SMILESN#CC(O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C15H13NO2/c16-10-15(17)13-6-8-14(9-7-13)18-11-12-4-2-1-3-5-12/h1-9,15,17H,11H2
InChIKeyZLMAAYCULGLKMV-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.82
Rot. Bonds4

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

2-hydroxy-2-(4-phenylmethoxyphenyl)acetonitrile (PubChem CID 15557528) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-hydroxy-2-(4-phenylmethoxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-hydroxy-2-(4-phenylmethoxyphenyl)acetonitrile
PubChem CID15557528
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name2-hydroxy-2-(4-phenylmethoxyphenyl)acetonitrile
SMILESN#CC(O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C15H13NO2/c16-10-15(17)13-6-8-14(9-7-13)18-11-12-4-2-1-3-5-12/h1-9,15,17H,11H2
InChIKeyZLMAAYCULGLKMV-UHFFFAOYSA-N
XLogP2.82
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.82
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

N-[(R)-cyano-(4-phenylmethoxyphenyl)methyl]acetamide
CID 95306841
2-hydroxy-2-(4-phenoxyphenyl)acetonitrile
CID 11436051
(1R)-1-(4-phenylmethoxyphenyl)ethane-1,2-diol
CID 71416199
(3R)-4-hydroxy-3-(4-phenylmethoxyphenyl)butanenitrile
CID 142968538
1-amino-2-(4-phenylmethoxyphenyl)ethane-1,2-diol
CID 70474392
2-(4-phenylmethoxyphenyl)-2-trimethylsilyloxyacetonitrile
CID 15327372
3,3-difluoro-2-hydroxy-3-(4-phenylmethoxyphenyl)propanenitrile
CID 135176100
1,3-bis(4-phenylmethoxyphenoxy)propan-2-ol
CID 3030941
2-methoxy-1-(4-phenylmethoxyphenyl)ethanol
CID 13050554
4-(4-phenylmethoxyphenyl)pentanenitrile
CID 83932950
3-hydroxy-3-(4-phenylmethoxyphenyl)propanal
CID 114795255
4-[1-(4-phenylmethoxyphenyl)ethoxy]benzonitrile
CID 19918506

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(4-phenylmethoxyphenyl)acetonitrile?
The IUPAC name of 2-hydroxy-2-(4-phenylmethoxyphenyl)acetonitrile (CID 15557528) is 2-hydroxy-2-(4-phenylmethoxyphenyl)acetonitrile.
What is the SMILES notation for 2-hydroxy-2-(4-phenylmethoxyphenyl)acetonitrile?
The canonical SMILES for 2-hydroxy-2-(4-phenylmethoxyphenyl)acetonitrile is N#CC(O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-hydroxy-2-(4-phenylmethoxyphenyl)acetonitrile?
The InChIKey is ZLMAAYCULGLKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c16-10-15(17)13-6-8-14(9-7-13)18-11-12-4-2-1-3-5-12/h1-9,15,17H,11H2.
What are the key properties of 2-hydroxy-2-(4-phenylmethoxyphenyl)acetonitrile?
2-hydroxy-2-(4-phenylmethoxyphenyl)acetonitrile has a molecular weight of 239.27 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(4-phenylmethoxyphenyl)acetonitrile is sourced from PubChem (CID 15557528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).