2-hydroxy-2-(2-hydroxyphenyl)acetonitrile

C8H7NO2 — CID 14293611

IUPAC2-hydroxy-2-(2-hydroxyphenyl)acetonitrile
SMILESN#CC(O)c1ccccc1O
InChIInChI=1S/C8H7NO2/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4,8,10-11H
InChIKeyRAMGDKVTYDITQG-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.95
Rot. Bonds1

About 2-hydroxy-2-(2-hydroxyphenyl)acetonitrile

2-hydroxy-2-(2-hydroxyphenyl)acetonitrile (PubChem CID 14293611) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol. Its IUPAC name is 2-hydroxy-2-(2-hydroxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-hydroxy-2-(2-hydroxyphenyl)acetonitrile
PubChem CID14293611
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC Name2-hydroxy-2-(2-hydroxyphenyl)acetonitrile
SMILESN#CC(O)c1ccccc1O
InChIInChI=1S/C8H7NO2/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4,8,10-11H
InChIKeyRAMGDKVTYDITQG-UHFFFAOYSA-N
XLogP0.95
TPSA64.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.95
H-Bond Donors ≤ 52
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-(2-hydroxyphenyl)propanenitrile
CID 171869667
2-[(1S)-1-hydroxyhexa-2,4-diynyl]phenol
CID 163187892
3,4-dihydroxy-4-(2-hydroxyphenyl)butanenitrile
CID 171900402
2-(1-benzothiophen-3-yl)-2-hydroxyacetonitrile
CID 62699836
tert-butyl 2-[cyano(hydroxy)methyl]benzoate
CID 123135721
2-chlorobenzaldehyde;(2R)-2-(2-chlorophenyl)-2-hydroxyacetonitrile
CID 160870687
2-hydroxy-2-(4-phenoxyphenyl)acetonitrile
CID 11436051
2-(1-hydroxyhept-2-ynyl)phenol
CID 23727446
2-[2-(1-hydroxyethyl)phenyl]propanenitrile
CID 19377147
[2-[cyano(hydroxy)methyl]phenyl] butanoate
CID 87211702
2-(difluoromethyl)phenol
CID 21386914
3-(2-bromo-3-hydroxyphenyl)-2,3-dihydroxypropanenitrile
CID 171871540

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(2-hydroxyphenyl)acetonitrile?
The IUPAC name of 2-hydroxy-2-(2-hydroxyphenyl)acetonitrile (CID 14293611) is 2-hydroxy-2-(2-hydroxyphenyl)acetonitrile.
What is the SMILES notation for 2-hydroxy-2-(2-hydroxyphenyl)acetonitrile?
The canonical SMILES for 2-hydroxy-2-(2-hydroxyphenyl)acetonitrile is N#CC(O)c1ccccc1O.
What is the InChIKey of 2-hydroxy-2-(2-hydroxyphenyl)acetonitrile?
The InChIKey is RAMGDKVTYDITQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4,8,10-11H.
What are the key properties of 2-hydroxy-2-(2-hydroxyphenyl)acetonitrile?
2-hydroxy-2-(2-hydroxyphenyl)acetonitrile has a molecular weight of 149.15 g/mol, XLogP of 0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(2-hydroxyphenyl)acetonitrile is sourced from PubChem (CID 14293611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).