4-(4-hydroxyphenyl)benzene-1,3-dicarbonitrile

C14H8N2O — CID 15541186

IUPAC4-(4-hydroxyphenyl)benzene-1,3-dicarbonitrile
SMILESN#Cc1ccc(-c2ccc(O)cc2)c(C#N)c1
InChIInChI=1S/C14H8N2O/c15-8-10-1-6-14(12(7-10)9-16)11-2-4-13(17)5-3-11/h1-7,17H
InChIKeyJIZOTEVXTOXFPF-UHFFFAOYSA-N
MW220.23 g/mol
LogP2.80
Rot. Bonds1

About 4-(4-hydroxyphenyl)benzene-1,3-dicarbonitrile

4-(4-hydroxyphenyl)benzene-1,3-dicarbonitrile (PubChem CID 15541186) has the molecular formula C14H8N2O and a molecular weight of 220.23 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)benzene-1,3-dicarbonitrile
PubChem CID15541186
Molecular FormulaC14H8N2O
Molecular Weight220.23 g/mol
Exact Mass220.06
IUPAC Name4-(4-hydroxyphenyl)benzene-1,3-dicarbonitrile
SMILESN#Cc1ccc(-c2ccc(O)cc2)c(C#N)c1
InChIInChI=1S/C14H8N2O/c15-8-10-1-6-14(12(7-10)9-16)11-2-4-13(17)5-3-11/h1-7,17H
InChIKeyJIZOTEVXTOXFPF-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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Related Compounds

4-(4-hydroxyphenyl)-3-methylbenzonitrile
CID 22274632
2-(4-hydroxyphenyl)-5-nitrobenzonitrile
CID 23508482
4-hydroxybenzonitrile
CID 53435365
4-[4-(3-aminothiophen-2-yl)phenyl]benzene-1,3-dicarbonitrile
CID 69252500
2-[4-(2,4-dicyanophenyl)phenyl]thiophene-3-carboxamide
CID 69252497
4-(4-hydroxyphenyl)thiophene-3-carbonitrile
CID 59447572
bis(4-hydroxybenzonitrile);zirconium(2+);dichloride
CID 174392675
4-dibenzothiophen-3-ylbenzene-1,3-dicarbonitrile
CID 156576874
2-hydroxy-5-(4-hydroxyphenyl)benzonitrile
CID 53219834
4-(4-amino-2-hydroxyphenyl)benzonitrile
CID 22023329
4-[2-[4-[2-(4-hydroxyphenyl)ethynyl]phenyl]ethynyl]benzonitrile
CID 71093897
4-(4-cyanophenyl)-2-hydroxybenzonitrile
CID 53219846

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)benzene-1,3-dicarbonitrile?
The IUPAC name of 4-(4-hydroxyphenyl)benzene-1,3-dicarbonitrile (CID 15541186) is 4-(4-hydroxyphenyl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 4-(4-hydroxyphenyl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 4-(4-hydroxyphenyl)benzene-1,3-dicarbonitrile is N#Cc1ccc(-c2ccc(O)cc2)c(C#N)c1.
What is the InChIKey of 4-(4-hydroxyphenyl)benzene-1,3-dicarbonitrile?
The InChIKey is JIZOTEVXTOXFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O/c15-8-10-1-6-14(12(7-10)9-16)11-2-4-13(17)5-3-11/h1-7,17H.
What are the key properties of 4-(4-hydroxyphenyl)benzene-1,3-dicarbonitrile?
4-(4-hydroxyphenyl)benzene-1,3-dicarbonitrile 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-hydroxyphenyl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 15541186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).