3-[4-(2-hydroxyethoxy)phenoxy]benzene-1,2-dicarbonitrile

C16H12N2O3 — CID 141490730

IUPAC3-[4-(2-hydroxyethoxy)phenoxy]benzene-1,2-dicarbonitrile
SMILESN#Cc1cccc(Oc2ccc(OCCO)cc2)c1C#N
InChIInChI=1S/C16H12N2O3/c17-10-12-2-1-3-16(15(12)11-18)21-14-6-4-13(5-7-14)20-9-8-19/h1-7,19H,8-9H2
InChIKeyXDHAWXSVXICOQY-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.59
Rot. Bonds5

About 3-[4-(2-hydroxyethoxy)phenoxy]benzene-1,2-dicarbonitrile

3-[4-(2-hydroxyethoxy)phenoxy]benzene-1,2-dicarbonitrile (PubChem CID 141490730) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethoxy)phenoxy]benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name3-[4-(2-hydroxyethoxy)phenoxy]benzene-1,2-dicarbonitrile
PubChem CID141490730
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name3-[4-(2-hydroxyethoxy)phenoxy]benzene-1,2-dicarbonitrile
SMILESN#Cc1cccc(Oc2ccc(OCCO)cc2)c1C#N
InChIInChI=1S/C16H12N2O3/c17-10-12-2-1-3-16(15(12)11-18)21-14-6-4-13(5-7-14)20-9-8-19/h1-7,19H,8-9H2
InChIKeyXDHAWXSVXICOQY-UHFFFAOYSA-N
XLogP2.59
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(4-phenoxyphenoxy)phenoxy]benzene-1,2-dicarbonitrile
CID 19895074
3-(2-phenoxyphenoxy)benzene-1,2-dicarbonitrile
CID 15667741
methyl 4-(2,3-dicyanophenoxy)benzoate
CID 902671
2-chloro-6-(4-propoxyphenoxy)benzonitrile
CID 63512370
3-[2-(2,3-dicyanophenoxy)phenoxy]benzene-1,2-dicarbonitrile
CID 19922197
3-butoxybenzene-1,2-dicarbonitrile
CID 18469841
3-(3,5-dimethylphenoxy)benzene-1,2-dicarbonitrile
CID 68696975
2-chloro-6-[4-(hydroxymethyl)phenoxy]benzonitrile
CID 62495723
3-(3-fluorophenoxy)benzene-1,2-dicarbonitrile
CID 19895093
2-[4-[4-[2-cyano-3-[4-[4-[2-cyano-3-[4-[4-[2-cyano-3-[4-[4-[2-cyano-3-[4-[4-[2-cyano-3-[4-[4-[2-cyano-3-[4-[4-[2-cyano-3-[4-[4-[2-cyano-3-[4-[4-[2-cyano-3-[4-[4-[2-cyano-3-[4-[4-[2-cyano-3-[4-[4-[2-cyano-3-[4-[4-[2-cyano-3-[4-[4-[2-cyano-3-[4-[4-[2-cyano-3-[4-[4-[2-cyano-3-[4-[4-[2-cyano-3-[4-[4-[2-cyano-3-[4-[4-[2-cyano-3-[4-[4-[4-(4-hydroxyphenyl)phenyl]peroxyphenyl]phenoxy]phenoxy]phenyl]phenoxy]phenoxy]phenyl]phenoxy]phenoxy]phenyl]phenoxy]phenoxy]phenyl]phenoxy]phenoxy]phenyl]phenoxy]phenoxy]phenyl]phenoxy]phenoxy]phenyl]phenoxy]phenoxy]phenyl]phenoxy]phenoxy]phenyl]phenoxy]phenoxy]phenyl]phenoxy]phenoxy]phenyl]phenoxy]phenoxy]phenyl]phenoxy]phenoxy]phenyl]phenoxy]phenoxy]phenyl]phenoxy]phenoxy]phenyl]phenoxy]phenoxy]phenyl]phenoxy]phenoxy]phenyl]phenoxy]phenoxy]phenyl]phenoxy]phenoxy]phenyl]phenoxy]-6-[4-[4-(2-cyanophenoxy)phenyl]phenoxy]benzonitrile
CID 173381591
2,6-diphenoxybenzonitrile
CID 71353957
3-(1,3-oxazol-2-yloxy)benzene-1,2-dicarbonitrile
CID 90693997

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyethoxy)phenoxy]benzene-1,2-dicarbonitrile?
The IUPAC name of 3-[4-(2-hydroxyethoxy)phenoxy]benzene-1,2-dicarbonitrile (CID 141490730) is 3-[4-(2-hydroxyethoxy)phenoxy]benzene-1,2-dicarbonitrile.
What is the SMILES notation for 3-[4-(2-hydroxyethoxy)phenoxy]benzene-1,2-dicarbonitrile?
The canonical SMILES for 3-[4-(2-hydroxyethoxy)phenoxy]benzene-1,2-dicarbonitrile is N#Cc1cccc(Oc2ccc(OCCO)cc2)c1C#N.
What is the InChIKey of 3-[4-(2-hydroxyethoxy)phenoxy]benzene-1,2-dicarbonitrile?
The InChIKey is XDHAWXSVXICOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c17-10-12-2-1-3-16(15(12)11-18)21-14-6-4-13(5-7-14)20-9-8-19/h1-7,19H,8-9H2.
What are the key properties of 3-[4-(2-hydroxyethoxy)phenoxy]benzene-1,2-dicarbonitrile?
3-[4-(2-hydroxyethoxy)phenoxy]benzene-1,2-dicarbonitrile has a molecular weight of 280.28 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyethoxy)phenoxy]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 141490730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).