2-anilino-2-(4-hydroxyphenyl)acetonitrile

C14H12N2O — CID 11401837

IUPAC2-anilino-2-(4-hydroxyphenyl)acetonitrile
SMILESN#CC(Nc1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C14H12N2O/c15-10-14(11-6-8-13(17)9-7-11)16-12-4-2-1-3-5-12/h1-9,14,16-17H
InChIKeyVBMXIXLPVQUNHY-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.07
Rot. Bonds3

About 2-anilino-2-(4-hydroxyphenyl)acetonitrile

2-anilino-2-(4-hydroxyphenyl)acetonitrile (PubChem CID 11401837) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-anilino-2-(4-hydroxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-anilino-2-(4-hydroxyphenyl)acetonitrile
PubChem CID11401837
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name2-anilino-2-(4-hydroxyphenyl)acetonitrile
SMILESN#CC(Nc1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C14H12N2O/c15-10-14(11-6-8-13(17)9-7-11)16-12-4-2-1-3-5-12/h1-9,14,16-17H
InChIKeyVBMXIXLPVQUNHY-UHFFFAOYSA-N
XLogP3.07
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-2-(4-hydroxyphenyl)acetonitrile?
The IUPAC name of 2-anilino-2-(4-hydroxyphenyl)acetonitrile (CID 11401837) is 2-anilino-2-(4-hydroxyphenyl)acetonitrile.
What is the SMILES notation for 2-anilino-2-(4-hydroxyphenyl)acetonitrile?
The canonical SMILES for 2-anilino-2-(4-hydroxyphenyl)acetonitrile is N#CC(Nc1ccccc1)c1ccc(O)cc1.
What is the InChIKey of 2-anilino-2-(4-hydroxyphenyl)acetonitrile?
The InChIKey is VBMXIXLPVQUNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c15-10-14(11-6-8-13(17)9-7-11)16-12-4-2-1-3-5-12/h1-9,14,16-17H.
What are the key properties of 2-anilino-2-(4-hydroxyphenyl)acetonitrile?
2-anilino-2-(4-hydroxyphenyl)acetonitrile has a molecular weight of 224.26 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-2-(4-hydroxyphenyl)acetonitrile is sourced from PubChem (CID 11401837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).