4-(2-methoxyphenoxy)-5-morpholin-4-ylbenzene-1,2-dicarbonitrile

C19H17N3O3 — CID 952339

IUPAC4-(2-methoxyphenoxy)-5-morpholin-4-ylbenzene-1,2-dicarbonitrile
SMILESCOc1ccccc1Oc1cc(C#N)c(C#N)cc1N1CCOCC1
InChIInChI=1S/C19H17N3O3/c1-23-17-4-2-3-5-18(17)25-19-11-15(13-21)14(12-20)10-16(19)22-6-8-24-9-7-22/h2-5,10-11H,6-9H2,1H3
InChIKeyDPGDDKXSPJXERE-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.07
Rot. Bonds4

About 4-(2-methoxyphenoxy)-5-morpholin-4-ylbenzene-1,2-dicarbonitrile

4-(2-methoxyphenoxy)-5-morpholin-4-ylbenzene-1,2-dicarbonitrile (PubChem CID 952339) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 4-(2-methoxyphenoxy)-5-morpholin-4-ylbenzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-(2-methoxyphenoxy)-5-morpholin-4-ylbenzene-1,2-dicarbonitrile
PubChem CID952339
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name4-(2-methoxyphenoxy)-5-morpholin-4-ylbenzene-1,2-dicarbonitrile
SMILESCOc1ccccc1Oc1cc(C#N)c(C#N)cc1N1CCOCC1
InChIInChI=1S/C19H17N3O3/c1-23-17-4-2-3-5-18(17)25-19-11-15(13-21)14(12-20)10-16(19)22-6-8-24-9-7-22/h2-5,10-11H,6-9H2,1H3
InChIKeyDPGDDKXSPJXERE-UHFFFAOYSA-N
XLogP3.07
TPSA78.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenoxy)-5-morpholin-4-ylbenzene-1,2-dicarbonitrile?
The IUPAC name of 4-(2-methoxyphenoxy)-5-morpholin-4-ylbenzene-1,2-dicarbonitrile (CID 952339) is 4-(2-methoxyphenoxy)-5-morpholin-4-ylbenzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-(2-methoxyphenoxy)-5-morpholin-4-ylbenzene-1,2-dicarbonitrile?
The canonical SMILES for 4-(2-methoxyphenoxy)-5-morpholin-4-ylbenzene-1,2-dicarbonitrile is COc1ccccc1Oc1cc(C#N)c(C#N)cc1N1CCOCC1.
What is the InChIKey of 4-(2-methoxyphenoxy)-5-morpholin-4-ylbenzene-1,2-dicarbonitrile?
The InChIKey is DPGDDKXSPJXERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-23-17-4-2-3-5-18(17)25-19-11-15(13-21)14(12-20)10-16(19)22-6-8-24-9-7-22/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 4-(2-methoxyphenoxy)-5-morpholin-4-ylbenzene-1,2-dicarbonitrile?
4-(2-methoxyphenoxy)-5-morpholin-4-ylbenzene-1,2-dicarbonitrile has a molecular weight of 335.36 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenoxy)-5-morpholin-4-ylbenzene-1,2-dicarbonitrile is sourced from PubChem (CID 952339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).