4,5-diethoxy-2-(furan-2-yl)benzonitrile

C15H15NO3 — CID 168528745

IUPAC4,5-diethoxy-2-(furan-2-yl)benzonitrile
SMILESCCOc1cc(C#N)c(-c2ccco2)cc1OCC
InChIInChI=1S/C15H15NO3/c1-3-17-14-8-11(10-16)12(9-15(14)18-4-2)13-6-5-7-19-13/h5-9H,3-4H2,1-2H3
InChIKeyOWCPTMBZMUULEY-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.62
Rot. Bonds5

About 4,5-diethoxy-2-(furan-2-yl)benzonitrile

4,5-diethoxy-2-(furan-2-yl)benzonitrile (PubChem CID 168528745) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4,5-diethoxy-2-(furan-2-yl)benzonitrile.

Molecular Properties

Compound Name4,5-diethoxy-2-(furan-2-yl)benzonitrile
PubChem CID168528745
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name4,5-diethoxy-2-(furan-2-yl)benzonitrile
SMILESCCOc1cc(C#N)c(-c2ccco2)cc1OCC
InChIInChI=1S/C15H15NO3/c1-3-17-14-8-11(10-16)12(9-15(14)18-4-2)13-6-5-7-19-13/h5-9H,3-4H2,1-2H3
InChIKeyOWCPTMBZMUULEY-UHFFFAOYSA-N
XLogP3.62
TPSA55.39 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(furan-2-yl)-4-methoxybenzonitrile
CID 168528041
2-(2-ethoxyphenyl)furan
CID 168524531
2-(5-bromo-2-ethoxyphenyl)furan
CID 168526403
2-ethoxy-6-(furan-2-yl)pyridine-3-carbonitrile
CID 1481539
3-ethoxy-2-sulfanylbenzonitrile
CID 91874372
4-ethoxy-2,6-bis(furan-2-yl)pyrimidine-5-carbonitrile
CID 70079353
4-ethoxy-3-methylazulene-1-carbonitrile
CID 14615784
2-amino-3-ethoxybenzonitrile
CID 82014474
2,6-diethoxybenzonitrile
CID 3018118
2-ethoxybenzene-1,3-dicarbonitrile
CID 23083446
3-(3-ethoxy-4-methoxyphenyl)-5-(furan-2-yl)-1,2,4-oxadiazole
CID 3160321
1-[2-ethoxy-5-(furan-2-yl)phenyl]pyrrole
CID 168525775

Frequently Asked Questions

What is the IUPAC name of 4,5-diethoxy-2-(furan-2-yl)benzonitrile?
The IUPAC name of 4,5-diethoxy-2-(furan-2-yl)benzonitrile (CID 168528745) is 4,5-diethoxy-2-(furan-2-yl)benzonitrile.
What is the SMILES notation for 4,5-diethoxy-2-(furan-2-yl)benzonitrile?
The canonical SMILES for 4,5-diethoxy-2-(furan-2-yl)benzonitrile is CCOc1cc(C#N)c(-c2ccco2)cc1OCC.
What is the InChIKey of 4,5-diethoxy-2-(furan-2-yl)benzonitrile?
The InChIKey is OWCPTMBZMUULEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-3-17-14-8-11(10-16)12(9-15(14)18-4-2)13-6-5-7-19-13/h5-9H,3-4H2,1-2H3.
What are the key properties of 4,5-diethoxy-2-(furan-2-yl)benzonitrile?
4,5-diethoxy-2-(furan-2-yl)benzonitrile has a molecular weight of 257.29 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethoxy-2-(furan-2-yl)benzonitrile is sourced from PubChem (CID 168528745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).