2-(4-hydroxyphenyl)acetonitrile

C8H7NO — CID 26548

IUPAC2-(4-hydroxyphenyl)acetonitrile
SMILESN#CCc1ccc(O)cc1
InChIInChI=1S/C8H7NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5H2
InChIKeyAYKYOOPFBCOXSL-UHFFFAOYSA-N
MW133.15 g/mol
LogP1.46
Rot. Bonds1

About 2-(4-hydroxyphenyl)acetonitrile

2-(4-hydroxyphenyl)acetonitrile (PubChem CID 26548) has the molecular formula C8H7NO and a molecular weight of 133.15 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)acetonitrile
PubChem CID26548
Molecular FormulaC8H7NO
Molecular Weight133.15 g/mol
Exact Mass133.05
IUPAC Name2-(4-hydroxyphenyl)acetonitrile
SMILESN#CCc1ccc(O)cc1
InChIInChI=1S/C8H7NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5H2
InChIKeyAYKYOOPFBCOXSL-UHFFFAOYSA-N
XLogP1.46
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2-hydroxyethyl)phenyl]acetonitrile
CID 22337092
2-[4-(3-hydroxyphenyl)phenyl]acetonitrile
CID 70503245
ethane;2-(4-ethylphenyl)acetonitrile
CID 143828452
3-[4-(cyanomethyl)phenyl]propanenitrile
CID 55267944
2-[4-[4-(cyanomethyl)anilino]phenyl]acetonitrile
CID 170886404
2-(4H-1,3-benzodioxin-6-yl)acetonitrile;2-(4-hydroxyphenyl)acetonitrile;methane
CID 161130958
2-[4-(2-amino-2-hydroxyethyl)phenyl]acetonitrile
CID 70614226
[4-[4-(cyanomethyl)phenyl]phenyl]boronic acid
CID 163815966
4-(hydroxymethyl)phenol;hydrate
CID 141133894
ethanol;2-phenylacetonitrile
CID 70378956
2-[4-[(4-fluorophenyl)methyl]phenyl]acetonitrile
CID 14461233
2-[4-(2,2,2-trifluoroethyl)phenyl]acetonitrile
CID 84668654

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)acetonitrile?
The IUPAC name of 2-(4-hydroxyphenyl)acetonitrile (CID 26548) is 2-(4-hydroxyphenyl)acetonitrile.
What is the SMILES notation for 2-(4-hydroxyphenyl)acetonitrile?
The canonical SMILES for 2-(4-hydroxyphenyl)acetonitrile is N#CCc1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)acetonitrile?
The InChIKey is AYKYOOPFBCOXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5H2.
What are the key properties of 2-(4-hydroxyphenyl)acetonitrile?
2-(4-hydroxyphenyl)acetonitrile has a molecular weight of 133.15 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)acetonitrile is sourced from PubChem (CID 26548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).