3-[2-(furan-2-yl)-2-oxoethoxy]-4-methylbenzonitrile

C14H11NO3 — CID 107659316

IUPAC3-[2-(furan-2-yl)-2-oxoethoxy]-4-methylbenzonitrile
SMILESCc1ccc(C#N)cc1OCC(=O)c1ccco1
InChIInChI=1S/C14H11NO3/c1-10-4-5-11(8-15)7-14(10)18-9-12(16)13-3-2-6-17-13/h2-7H,9H2,1H3
InChIKeyQRTRJGLAIZCKLH-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.72
Rot. Bonds4

About 3-[2-(furan-2-yl)-2-oxoethoxy]-4-methylbenzonitrile

3-[2-(furan-2-yl)-2-oxoethoxy]-4-methylbenzonitrile (PubChem CID 107659316) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-[2-(furan-2-yl)-2-oxoethoxy]-4-methylbenzonitrile.

Molecular Properties

Compound Name3-[2-(furan-2-yl)-2-oxoethoxy]-4-methylbenzonitrile
PubChem CID107659316
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name3-[2-(furan-2-yl)-2-oxoethoxy]-4-methylbenzonitrile
SMILESCc1ccc(C#N)cc1OCC(=O)c1ccco1
InChIInChI=1S/C14H11NO3/c1-10-4-5-11(8-15)7-14(10)18-9-12(16)13-3-2-6-17-13/h2-7H,9H2,1H3
InChIKeyQRTRJGLAIZCKLH-UHFFFAOYSA-N
XLogP2.72
TPSA63.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(3-methoxyphenyl)-2-oxoethoxy]-4-methylbenzonitrile
CID 103760397
2-(4-bromo-2-methylphenoxy)-1-(furan-2-yl)ethanone
CID 55026653
3-[2-(4-chlorophenyl)-2-oxoethoxy]-4-methylbenzonitrile
CID 103760383
3-[2-(3-chlorophenyl)-2-oxoethoxy]-4-methylbenzonitrile
CID 103760387
1-(furan-2-yl)-2-(4-methylphenoxy)ethanone
CID 43413085
4-methyl-3-[2-(4-methylsulfanylphenyl)-2-oxoethoxy]benzonitrile
CID 107659317
2-(5-cyano-2-methylphenoxy)acetohydrazide
CID 107661565
3-[2-(5-chlorothiophen-2-yl)-2-oxoethoxy]-4-methylbenzonitrile
CID 113256525
2-[4-[2-(furan-2-yl)-2-oxoethoxy]phenyl]acetonitrile
CID 60624197
2-(5-cyano-2-methylphenoxy)-N-phenylacetamide
CID 103760055
3-[2-(2,5-dibromothiophen-3-yl)-2-oxoethoxy]-4-methylbenzonitrile
CID 107659315
3-[3-(furan-2-ylmethoxy)-2-hydroxypropoxy]-4-methylbenzonitrile
CID 109416674

Frequently Asked Questions

What is the IUPAC name of 3-[2-(furan-2-yl)-2-oxoethoxy]-4-methylbenzonitrile?
The IUPAC name of 3-[2-(furan-2-yl)-2-oxoethoxy]-4-methylbenzonitrile (CID 107659316) is 3-[2-(furan-2-yl)-2-oxoethoxy]-4-methylbenzonitrile.
What is the SMILES notation for 3-[2-(furan-2-yl)-2-oxoethoxy]-4-methylbenzonitrile?
The canonical SMILES for 3-[2-(furan-2-yl)-2-oxoethoxy]-4-methylbenzonitrile is Cc1ccc(C#N)cc1OCC(=O)c1ccco1.
What is the InChIKey of 3-[2-(furan-2-yl)-2-oxoethoxy]-4-methylbenzonitrile?
The InChIKey is QRTRJGLAIZCKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c1-10-4-5-11(8-15)7-14(10)18-9-12(16)13-3-2-6-17-13/h2-7H,9H2,1H3.
What are the key properties of 3-[2-(furan-2-yl)-2-oxoethoxy]-4-methylbenzonitrile?
3-[2-(furan-2-yl)-2-oxoethoxy]-4-methylbenzonitrile has a molecular weight of 241.25 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(furan-2-yl)-2-oxoethoxy]-4-methylbenzonitrile is sourced from PubChem (CID 107659316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).