2,6-diphenoxybenzonitrile

C19H13NO2 — CID 71353957

IUPAC2,6-diphenoxybenzonitrile
SMILESN#Cc1c(Oc2ccccc2)cccc1Oc1ccccc1
InChIInChI=1S/C19H13NO2/c20-14-17-18(21-15-8-3-1-4-9-15)12-7-13-19(17)22-16-10-5-2-6-11-16/h1-13H
InChIKeyWNIXQRKSGAVKHJ-UHFFFAOYSA-N
MW287.32 g/mol
LogP5.14
Rot. Bonds4

About 2,6-diphenoxybenzonitrile

2,6-diphenoxybenzonitrile (PubChem CID 71353957) has the molecular formula C19H13NO2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2,6-diphenoxybenzonitrile.

Molecular Properties

Compound Name2,6-diphenoxybenzonitrile
PubChem CID71353957
Molecular FormulaC19H13NO2
Molecular Weight287.32 g/mol
Exact Mass287.09
IUPAC Name2,6-diphenoxybenzonitrile
SMILESN#Cc1c(Oc2ccccc2)cccc1Oc1ccccc1
InChIInChI=1S/C19H13NO2/c20-14-17-18(21-15-8-3-1-4-9-15)12-7-13-19(17)22-16-10-5-2-6-11-16/h1-13H
InChIKeyWNIXQRKSGAVKHJ-UHFFFAOYSA-N
XLogP5.14
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.32
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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
2-anilino-6-phenoxybenzonitrile
CID 22136226
4,5-diphenoxybenzene-1,2-dicarbonitrile
CID 680327
[4-[3-(4-acetyloxyphenoxy)-2-cyanophenoxy]phenyl] acetate
CID 70429042
2-[4-[4-[2-cyano-3-(4-methoxyphenoxy)phenoxy]phenyl]phenoxy]-6-methylbenzonitrile
CID 170296414
methyl 4-[2-cyano-3-(4-methoxycarbonylphenoxy)phenoxy]benzoate
CID 167528549
3-[2-(2,3-dicyanophenoxy)phenoxy]benzene-1,2-dicarbonitrile
CID 19922197
2-(4-aminophenoxy)-6-fluorobenzonitrile
CID 43609010
2-chloro-6-(4-iodophenoxy)benzonitrile
CID 60701773
2-(4-bromophenoxy)-6-fluorobenzonitrile
CID 9029439
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

Frequently Asked Questions

What is the IUPAC name of 2,6-diphenoxybenzonitrile?
The IUPAC name of 2,6-diphenoxybenzonitrile (CID 71353957) is 2,6-diphenoxybenzonitrile.
What is the SMILES notation for 2,6-diphenoxybenzonitrile?
The canonical SMILES for 2,6-diphenoxybenzonitrile is N#Cc1c(Oc2ccccc2)cccc1Oc1ccccc1.
What is the InChIKey of 2,6-diphenoxybenzonitrile?
The InChIKey is WNIXQRKSGAVKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO2/c20-14-17-18(21-15-8-3-1-4-9-15)12-7-13-19(17)22-16-10-5-2-6-11-16/h1-13H.
What are the key properties of 2,6-diphenoxybenzonitrile?
2,6-diphenoxybenzonitrile has a molecular weight of 287.32 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenoxybenzonitrile is sourced from PubChem (CID 71353957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).