5-(2,4-dimethoxyphenyl)furan-2,3,4-tricarbonitrile

C15H9N3O3 — CID 102500191

IUPAC5-(2,4-dimethoxyphenyl)furan-2,3,4-tricarbonitrile
SMILESCOc1ccc(-c2oc(C#N)c(C#N)c2C#N)c(OC)c1
InChIInChI=1S/C15H9N3O3/c1-19-9-3-4-10(13(5-9)20-2)15-12(7-17)11(6-16)14(8-18)21-15/h3-5H,1-2H3
InChIKeyDBSCVADZVFMDBU-UHFFFAOYSA-N
MW279.25 g/mol
LogP2.58
Rot. Bonds3

About 5-(2,4-dimethoxyphenyl)furan-2,3,4-tricarbonitrile

5-(2,4-dimethoxyphenyl)furan-2,3,4-tricarbonitrile (PubChem CID 102500191) has the molecular formula C15H9N3O3 and a molecular weight of 279.25 g/mol. Its IUPAC name is 5-(2,4-dimethoxyphenyl)furan-2,3,4-tricarbonitrile.

Molecular Properties

Compound Name5-(2,4-dimethoxyphenyl)furan-2,3,4-tricarbonitrile
PubChem CID102500191
Molecular FormulaC15H9N3O3
Molecular Weight279.25 g/mol
Exact Mass279.06
IUPAC Name5-(2,4-dimethoxyphenyl)furan-2,3,4-tricarbonitrile
SMILESCOc1ccc(-c2oc(C#N)c(C#N)c2C#N)c(OC)c1
InChIInChI=1S/C15H9N3O3/c1-19-9-3-4-10(13(5-9)20-2)15-12(7-17)11(6-16)14(8-18)21-15/h3-5H,1-2H3
InChIKeyDBSCVADZVFMDBU-UHFFFAOYSA-N
XLogP2.58
TPSA102.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4,6-bis(2,4-dimethoxyphenyl)-[1,3]dithiolo[4,5-c]furan-2-ylidene]-4,6-bis(2,4-dimethoxyphenyl)-[1,3]dithiolo[4,5-c]furan
CID 101095512
1-[2-(2,4-dimethoxyphenyl)phenyl]-2,4-dimethoxybenzene
CID 70200625
3-(2,4-dimethoxyphenyl)-5-fluorobenzonitrile
CID 172990799
2-amino-4-(2,4-dimethoxyphenyl)-6-thiophen-2-ylpyridine-3-carbonitrile
CID 166594866
2-[[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile
CID 7534211
2,4-dimethoxy-6-methylbenzonitrile
CID 11435258
2,4-diamino-6-(2-hydroxy-4-methoxyphenyl)pyrimidine-5-carbonitrile
CID 169395991
2-(1-bromopropyl)-5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazole
CID 62856513
3-(2,4-dimethoxyphenyl)-6-oxo-1H-pyridazine-5-carbonitrile
CID 82446214
2-(chloromethyl)-5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazole
CID 18070785
N-[4-amino-5-cyano-6-(2,4-dimethoxyphenyl)-2-pyridinyl]acetamide
CID 66920746
6-(2,4-dimethoxyphenyl)-2-(methylamino)pyridine-3-carbonitrile
CID 62196138

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyphenyl)furan-2,3,4-tricarbonitrile?
The IUPAC name of 5-(2,4-dimethoxyphenyl)furan-2,3,4-tricarbonitrile (CID 102500191) is 5-(2,4-dimethoxyphenyl)furan-2,3,4-tricarbonitrile.
What is the SMILES notation for 5-(2,4-dimethoxyphenyl)furan-2,3,4-tricarbonitrile?
The canonical SMILES for 5-(2,4-dimethoxyphenyl)furan-2,3,4-tricarbonitrile is COc1ccc(-c2oc(C#N)c(C#N)c2C#N)c(OC)c1.
What is the InChIKey of 5-(2,4-dimethoxyphenyl)furan-2,3,4-tricarbonitrile?
The InChIKey is DBSCVADZVFMDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O3/c1-19-9-3-4-10(13(5-9)20-2)15-12(7-17)11(6-16)14(8-18)21-15/h3-5H,1-2H3.
What are the key properties of 5-(2,4-dimethoxyphenyl)furan-2,3,4-tricarbonitrile?
5-(2,4-dimethoxyphenyl)furan-2,3,4-tricarbonitrile has a molecular weight of 279.25 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxyphenyl)furan-2,3,4-tricarbonitrile is sourced from PubChem (CID 102500191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).