4-[2-(furan-3-yl)-1-hydroxyethyl]benzonitrile

C13H11NO2 — CID 83172812

IUPAC4-[2-(furan-3-yl)-1-hydroxyethyl]benzonitrile
SMILESN#Cc1ccc(C(O)Cc2ccoc2)cc1
InChIInChI=1S/C13H11NO2/c14-8-10-1-3-12(4-2-10)13(15)7-11-5-6-16-9-11/h1-6,9,13,15H,7H2
InChIKeyOMYMPJUQHPCGRM-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.43
Rot. Bonds3

About 4-[2-(furan-3-yl)-1-hydroxyethyl]benzonitrile

4-[2-(furan-3-yl)-1-hydroxyethyl]benzonitrile (PubChem CID 83172812) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 4-[2-(furan-3-yl)-1-hydroxyethyl]benzonitrile.

Molecular Properties

Compound Name4-[2-(furan-3-yl)-1-hydroxyethyl]benzonitrile
PubChem CID83172812
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name4-[2-(furan-3-yl)-1-hydroxyethyl]benzonitrile
SMILESN#Cc1ccc(C(O)Cc2ccoc2)cc1
InChIInChI=1S/C13H11NO2/c14-8-10-1-3-12(4-2-10)13(15)7-11-5-6-16-9-11/h1-6,9,13,15H,7H2
InChIKeyOMYMPJUQHPCGRM-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

2-(furan-3-yl)-1-(4-propan-2-ylphenyl)ethanol
CID 83173147
2-(furan-3-yl)-1-(4-methylphenyl)ethanol
CID 11206462
1-(4-bromophenyl)-2-(furan-3-yl)ethanol
CID 83173019
1,2-bis(furan-3-yl)ethanol
CID 83172033
4-[(1R,2S)-2-(4-cyanophenyl)-1,2-dihydroxyethyl]benzonitrile
CID 10912374
4-(1-hydroxy-2-thiophen-2-ylethyl)benzonitrile
CID 115481022
4-[2-(2,3-difluorophenyl)-1-hydroxyethyl]benzonitrile
CID 115481026
4-[3-(furan-2-yl)-1-hydroxy-3-oxopropyl]benzonitrile
CID 22297935
1-(3-fluorophenyl)-2-(furan-3-yl)ethanol
CID 83171476
2-(furan-3-yl)-1-(3-methylphenyl)ethanol
CID 83171478
4-[2-(2-fluorophenyl)-1-hydroxyethyl]benzonitrile
CID 115480843
4-(furan-3-yl)-3-methylbutan-2-ol
CID 83182885

Frequently Asked Questions

What is the IUPAC name of 4-[2-(furan-3-yl)-1-hydroxyethyl]benzonitrile?
The IUPAC name of 4-[2-(furan-3-yl)-1-hydroxyethyl]benzonitrile (CID 83172812) is 4-[2-(furan-3-yl)-1-hydroxyethyl]benzonitrile.
What is the SMILES notation for 4-[2-(furan-3-yl)-1-hydroxyethyl]benzonitrile?
The canonical SMILES for 4-[2-(furan-3-yl)-1-hydroxyethyl]benzonitrile is N#Cc1ccc(C(O)Cc2ccoc2)cc1.
What is the InChIKey of 4-[2-(furan-3-yl)-1-hydroxyethyl]benzonitrile?
The InChIKey is OMYMPJUQHPCGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c14-8-10-1-3-12(4-2-10)13(15)7-11-5-6-16-9-11/h1-6,9,13,15H,7H2.
What are the key properties of 4-[2-(furan-3-yl)-1-hydroxyethyl]benzonitrile?
4-[2-(furan-3-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 4-[2-(furan-3-yl)-1-hydroxyethyl]benzonitrile is sourced from PubChem (CID 83172812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).