4-[(4-cyanophenyl)-hydroxymethyl]benzonitrile

C15H10N2O — CID 10466550

IUPAC4-[(4-cyanophenyl)-hydroxymethyl]benzonitrile
SMILESN#Cc1ccc(C(O)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C15H10N2O/c16-9-11-1-5-13(6-2-11)15(18)14-7-3-12(10-17)4-8-14/h1-8,15,18H
InChIKeyJNJWXPZHWUOYRZ-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.51
Rot. Bonds2

About 4-[(4-cyanophenyl)-hydroxymethyl]benzonitrile

4-[(4-cyanophenyl)-hydroxymethyl]benzonitrile (PubChem CID 10466550) has the molecular formula C15H10N2O and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-[(4-cyanophenyl)-hydroxymethyl]benzonitrile.

Molecular Properties

Compound Name4-[(4-cyanophenyl)-hydroxymethyl]benzonitrile
PubChem CID10466550
Molecular FormulaC15H10N2O
Molecular Weight234.26 g/mol
Exact Mass234.08
IUPAC Name4-[(4-cyanophenyl)-hydroxymethyl]benzonitrile
SMILESN#Cc1ccc(C(O)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C15H10N2O/c16-9-11-1-5-13(6-2-11)15(18)14-7-3-12(10-17)4-8-14/h1-8,15,18H
InChIKeyJNJWXPZHWUOYRZ-UHFFFAOYSA-N
XLogP2.51
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyanophenyl)-hydroxymethyl]benzonitrile?
The IUPAC name of 4-[(4-cyanophenyl)-hydroxymethyl]benzonitrile (CID 10466550) is 4-[(4-cyanophenyl)-hydroxymethyl]benzonitrile.
What is the SMILES notation for 4-[(4-cyanophenyl)-hydroxymethyl]benzonitrile?
The canonical SMILES for 4-[(4-cyanophenyl)-hydroxymethyl]benzonitrile is N#Cc1ccc(C(O)c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-[(4-cyanophenyl)-hydroxymethyl]benzonitrile?
The InChIKey is JNJWXPZHWUOYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O/c16-9-11-1-5-13(6-2-11)15(18)14-7-3-12(10-17)4-8-14/h1-8,15,18H.
What are the key properties of 4-[(4-cyanophenyl)-hydroxymethyl]benzonitrile?
4-[(4-cyanophenyl)-hydroxymethyl]benzonitrile has a molecular weight of 234.26 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyanophenyl)-hydroxymethyl]benzonitrile is sourced from PubChem (CID 10466550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).