4-(4-cyanophenyl)-2-hydroxybenzonitrile

C14H8N2O — CID 53219846

IUPAC4-(4-cyanophenyl)-2-hydroxybenzonitrile
SMILESN#Cc1ccc(-c2ccc(C#N)c(O)c2)cc1
InChIInChI=1S/C14H8N2O/c15-8-10-1-3-11(4-2-10)12-5-6-13(9-16)14(17)7-12/h1-7,17H
InChIKeyFDINFKGWUIEHAF-UHFFFAOYSA-N
MW220.23 g/mol
LogP2.80
Rot. Bonds1

About 4-(4-cyanophenyl)-2-hydroxybenzonitrile

4-(4-cyanophenyl)-2-hydroxybenzonitrile (PubChem CID 53219846) has the molecular formula C14H8N2O and a molecular weight of 220.23 g/mol. Its IUPAC name is 4-(4-cyanophenyl)-2-hydroxybenzonitrile.

Molecular Properties

Compound Name4-(4-cyanophenyl)-2-hydroxybenzonitrile
PubChem CID53219846
Molecular FormulaC14H8N2O
Molecular Weight220.23 g/mol
Exact Mass220.06
IUPAC Name4-(4-cyanophenyl)-2-hydroxybenzonitrile
SMILESN#Cc1ccc(-c2ccc(C#N)c(O)c2)cc1
InChIInChI=1S/C14H8N2O/c15-8-10-1-3-11(4-2-10)12-5-6-13(9-16)14(17)7-12/h1-7,17H
InChIKeyFDINFKGWUIEHAF-UHFFFAOYSA-N
XLogP2.80
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanophenyl)-2-hydroxybenzonitrile?
The IUPAC name of 4-(4-cyanophenyl)-2-hydroxybenzonitrile (CID 53219846) is 4-(4-cyanophenyl)-2-hydroxybenzonitrile.
What is the SMILES notation for 4-(4-cyanophenyl)-2-hydroxybenzonitrile?
The canonical SMILES for 4-(4-cyanophenyl)-2-hydroxybenzonitrile is N#Cc1ccc(-c2ccc(C#N)c(O)c2)cc1.
What is the InChIKey of 4-(4-cyanophenyl)-2-hydroxybenzonitrile?
The InChIKey is FDINFKGWUIEHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O/c15-8-10-1-3-11(4-2-10)12-5-6-13(9-16)14(17)7-12/h1-7,17H.
What are the key properties of 4-(4-cyanophenyl)-2-hydroxybenzonitrile?
4-(4-cyanophenyl)-2-hydroxybenzonitrile has a molecular weight of 220.23 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanophenyl)-2-hydroxybenzonitrile is sourced from PubChem (CID 53219846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).