3-[2-(furan-2-yl)-1-hydroxyethyl]benzonitrile

C13H11NO2 — CID 83173061

IUPAC3-[2-(furan-2-yl)-1-hydroxyethyl]benzonitrile
SMILESN#Cc1cccc(C(O)Cc2ccco2)c1
InChIInChI=1S/C13H11NO2/c14-9-10-3-1-4-11(7-10)13(15)8-12-5-2-6-16-12/h1-7,13,15H,8H2
InChIKeyXWPBETALECVNNT-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.43
Rot. Bonds3

About 3-[2-(furan-2-yl)-1-hydroxyethyl]benzonitrile

3-[2-(furan-2-yl)-1-hydroxyethyl]benzonitrile (PubChem CID 83173061) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-[2-(furan-2-yl)-1-hydroxyethyl]benzonitrile.

Molecular Properties

Compound Name3-[2-(furan-2-yl)-1-hydroxyethyl]benzonitrile
PubChem CID83173061
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name3-[2-(furan-2-yl)-1-hydroxyethyl]benzonitrile
SMILESN#Cc1cccc(C(O)Cc2ccco2)c1
InChIInChI=1S/C13H11NO2/c14-9-10-3-1-4-11(7-10)13(15)8-12-5-2-6-16-12/h1-7,13,15H,8H2
InChIKeyXWPBETALECVNNT-UHFFFAOYSA-N
XLogP2.43
TPSA57.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(dimethylamino)phenyl]-2-(furan-2-yl)ethanol
CID 105122910
3-[(1R)-1-hydroxypropyl]benzonitrile
CID 71419733
3-[(1R)-2-amino-1-hydroxyethyl]benzonitrile;hydrochloride
CID 91662955
3-[1-hydroxy-2-(2-methoxyphenyl)ethyl]benzonitrile
CID 115481188
3-[2-(2-bromo-3-fluorophenyl)-1-hydroxyethyl]benzonitrile
CID 115481111
furan-2-ylmethyl N-[1-(3-cyanophenyl)-2-oxoethyl]carbamate
CID 54008766
2-(furan-2-yl)-1-(4-phenylphenyl)ethanol
CID 83172274
3-(3,3,4,4,4-pentafluoro-1-hydroxybutyl)benzonitrile
CID 156765987
3-(5,5,5-trifluoro-1-hydroxypentyl)benzonitrile
CID 115515722
3-(1-hydroxy-2-quinolin-2-ylethyl)benzonitrile
CID 115481180
1-[(1S)-1-(3-cyanophenyl)ethyl]-3-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 97086720
2-(furan-2-yl)ethane-1,1-diol
CID 156698008

Frequently Asked Questions

What is the IUPAC name of 3-[2-(furan-2-yl)-1-hydroxyethyl]benzonitrile?
The IUPAC name of 3-[2-(furan-2-yl)-1-hydroxyethyl]benzonitrile (CID 83173061) is 3-[2-(furan-2-yl)-1-hydroxyethyl]benzonitrile.
What is the SMILES notation for 3-[2-(furan-2-yl)-1-hydroxyethyl]benzonitrile?
The canonical SMILES for 3-[2-(furan-2-yl)-1-hydroxyethyl]benzonitrile is N#Cc1cccc(C(O)Cc2ccco2)c1.
What is the InChIKey of 3-[2-(furan-2-yl)-1-hydroxyethyl]benzonitrile?
The InChIKey is XWPBETALECVNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c14-9-10-3-1-4-11(7-10)13(15)8-12-5-2-6-16-12/h1-7,13,15H,8H2.
What are the key properties of 3-[2-(furan-2-yl)-1-hydroxyethyl]benzonitrile?
3-[2-(furan-2-yl)-1-hydroxyethyl]benzonitrile has a molecular weight of 213.24 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(furan-2-yl)-1-hydroxyethyl]benzonitrile is sourced from PubChem (CID 83173061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).