2-[4-[2-(furan-2-yl)-2-oxoethoxy]phenyl]acetonitrile

C14H11NO3 — CID 60624197

IUPAC2-[4-[2-(furan-2-yl)-2-oxoethoxy]phenyl]acetonitrile
SMILESN#CCc1ccc(OCC(=O)c2ccco2)cc1
InChIInChI=1S/C14H11NO3/c15-8-7-11-3-5-12(6-4-11)18-10-13(16)14-2-1-9-17-14/h1-6,9H,7,10H2
InChIKeyXEKSYTYMBWGRTB-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.61
Rot. Bonds5

About 2-[4-[2-(furan-2-yl)-2-oxoethoxy]phenyl]acetonitrile

2-[4-[2-(furan-2-yl)-2-oxoethoxy]phenyl]acetonitrile (PubChem CID 60624197) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-[4-[2-(furan-2-yl)-2-oxoethoxy]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[2-(furan-2-yl)-2-oxoethoxy]phenyl]acetonitrile
PubChem CID60624197
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name2-[4-[2-(furan-2-yl)-2-oxoethoxy]phenyl]acetonitrile
SMILESN#CCc1ccc(OCC(=O)c2ccco2)cc1
InChIInChI=1S/C14H11NO3/c15-8-7-11-3-5-12(6-4-11)18-10-13(16)14-2-1-9-17-14/h1-6,9H,7,10H2
InChIKeyXEKSYTYMBWGRTB-UHFFFAOYSA-N
XLogP2.61
TPSA63.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-yl)-2-[4-(hydroxymethyl)phenoxy]ethanone
CID 60623751
1-(furan-2-yl)-2-(4-methylphenoxy)ethanone
CID 43413085
4-[2-(furan-2-yl)-2-oxoethoxy]benzamide
CID 60624189
2-[4-(2-oxo-2-thiophen-2-ylethoxy)phenyl]acetonitrile
CID 60624193
3-[2-(furan-2-yl)-2-oxoethoxy]-4-methylbenzonitrile
CID 107659316
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(furan-2-yl)ethanone
CID 43411851
2-[4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]acetonitrile
CID 60624229
2-[4-(cyanomethyl)phenoxy]-N-ethylacetamide
CID 24702557
3-[[4-(cyanomethyl)phenoxy]methyl]furan-2-carboxylic acid
CID 43244453
3-[4-(cyanomethyl)phenoxy]propanoic acid
CID 16772282
2-[4-(furan-2-carbonyl)phenoxy]acetic acid
CID 82086021
N-(2-benzylphenyl)-2-[4-(cyanomethyl)phenoxy]acetamide
CID 55312855

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(furan-2-yl)-2-oxoethoxy]phenyl]acetonitrile?
The IUPAC name of 2-[4-[2-(furan-2-yl)-2-oxoethoxy]phenyl]acetonitrile (CID 60624197) is 2-[4-[2-(furan-2-yl)-2-oxoethoxy]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[2-(furan-2-yl)-2-oxoethoxy]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[2-(furan-2-yl)-2-oxoethoxy]phenyl]acetonitrile is N#CCc1ccc(OCC(=O)c2ccco2)cc1.
What is the InChIKey of 2-[4-[2-(furan-2-yl)-2-oxoethoxy]phenyl]acetonitrile?
The InChIKey is XEKSYTYMBWGRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c15-8-7-11-3-5-12(6-4-11)18-10-13(16)14-2-1-9-17-14/h1-6,9H,7,10H2.
What are the key properties of 2-[4-[2-(furan-2-yl)-2-oxoethoxy]phenyl]acetonitrile?
2-[4-[2-(furan-2-yl)-2-oxoethoxy]phenyl]acetonitrile has a molecular weight of 241.25 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(furan-2-yl)-2-oxoethoxy]phenyl]acetonitrile is sourced from PubChem (CID 60624197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).