4,5-diphenoxybenzene-1,2-dicarbonitrile

C20H12N2O2 — CID 680327

IUPAC4,5-diphenoxybenzene-1,2-dicarbonitrile
SMILESN#Cc1cc(Oc2ccccc2)c(Oc2ccccc2)cc1C#N
InChIInChI=1S/C20H12N2O2/c21-13-15-11-19(23-17-7-3-1-4-8-17)20(12-16(15)14-22)24-18-9-5-2-6-10-18/h1-12H
InChIKeyWLHHJDXXVXXPPI-UHFFFAOYSA-N
MW312.33 g/mol
LogP5.01
Rot. Bonds4

About 4,5-diphenoxybenzene-1,2-dicarbonitrile

4,5-diphenoxybenzene-1,2-dicarbonitrile (PubChem CID 680327) has the molecular formula C20H12N2O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is 4,5-diphenoxybenzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4,5-diphenoxybenzene-1,2-dicarbonitrile
PubChem CID680327
Molecular FormulaC20H12N2O2
Molecular Weight312.33 g/mol
Exact Mass312.09
IUPAC Name4,5-diphenoxybenzene-1,2-dicarbonitrile
SMILESN#Cc1cc(Oc2ccccc2)c(Oc2ccccc2)cc1C#N
InChIInChI=1S/C20H12N2O2/c21-13-15-11-19(23-17-7-3-1-4-8-17)20(12-16(15)14-22)24-18-9-5-2-6-10-18/h1-12H
InChIKeyWLHHJDXXVXXPPI-UHFFFAOYSA-N
XLogP5.01
TPSA66.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.33
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-diphenoxyphenoxy)benzene-1,2-dicarbonitrile
CID 15667750
4-chloro-2-phenoxybenzonitrile
CID 63093062
2,6-diphenoxybenzonitrile
CID 71353957
3-[4-(4-phenoxyphenoxy)phenoxy]benzene-1,2-dicarbonitrile
CID 19895074
3-(2-phenoxyphenoxy)benzene-1,2-dicarbonitrile
CID 15667741
4-(3,5-diphenoxyphenoxy)benzene-1,2-dicarbonitrile
CID 15667751
2-(3-chloro-4-phenoxyphenyl)benzonitrile
CID 173297794
5-chloro-2-(3-chlorophenoxy)benzonitrile
CID 63512022
2-(3-bromophenoxy)benzonitrile
CID 28602353
5-methyl-2-(3-methylphenoxy)benzonitrile
CID 107928086
2-methyl-5-phenoxybenzonitrile
CID 156815306
4-(4-phenylphenoxy)benzene-1,2-dicarbonitrile
CID 746627

Frequently Asked Questions

What is the IUPAC name of 4,5-diphenoxybenzene-1,2-dicarbonitrile?
The IUPAC name of 4,5-diphenoxybenzene-1,2-dicarbonitrile (CID 680327) is 4,5-diphenoxybenzene-1,2-dicarbonitrile.
What is the SMILES notation for 4,5-diphenoxybenzene-1,2-dicarbonitrile?
The canonical SMILES for 4,5-diphenoxybenzene-1,2-dicarbonitrile is N#Cc1cc(Oc2ccccc2)c(Oc2ccccc2)cc1C#N.
What is the InChIKey of 4,5-diphenoxybenzene-1,2-dicarbonitrile?
The InChIKey is WLHHJDXXVXXPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2O2/c21-13-15-11-19(23-17-7-3-1-4-8-17)20(12-16(15)14-22)24-18-9-5-2-6-10-18/h1-12H.
What are the key properties of 4,5-diphenoxybenzene-1,2-dicarbonitrile?
4,5-diphenoxybenzene-1,2-dicarbonitrile has a molecular weight of 312.33 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenoxybenzene-1,2-dicarbonitrile is sourced from PubChem (CID 680327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).