5-[(4-cyanophenoxy)methyl]furan-2-carboxylate

C13H8NO4- — CID 4290764

IUPAC5-[(4-cyanophenoxy)methyl]furan-2-carboxylate
SMILESN#Cc1ccc(OCc2ccc(C(=O)[O-])o2)cc1
InChIInChI=1S/C13H9NO4/c14-7-9-1-3-10(4-2-9)17-8-11-5-6-12(18-11)13(15)16/h1-6H,8H2,(H,15,16)/p-1
InChIKeyGBTXBOTVXAHUMP-UHFFFAOYSA-M
MW242.21 g/mol
LogP1.09
Rot. Bonds4

About 5-[(4-cyanophenoxy)methyl]furan-2-carboxylate

5-[(4-cyanophenoxy)methyl]furan-2-carboxylate (PubChem CID 4290764) has the molecular formula C13H8NO4- and a molecular weight of 242.21 g/mol. Its IUPAC name is 5-[(4-cyanophenoxy)methyl]furan-2-carboxylate.

Molecular Properties

Compound Name5-[(4-cyanophenoxy)methyl]furan-2-carboxylate
PubChem CID4290764
Molecular FormulaC13H8NO4-
Molecular Weight242.21 g/mol
Exact Mass242.05
IUPAC Name5-[(4-cyanophenoxy)methyl]furan-2-carboxylate
SMILESN#Cc1ccc(OCc2ccc(C(=O)[O-])o2)cc1
InChIInChI=1S/C13H9NO4/c14-7-9-1-3-10(4-2-9)17-8-11-5-6-12(18-11)13(15)16/h1-6H,8H2,(H,15,16)/p-1
InChIKeyGBTXBOTVXAHUMP-UHFFFAOYSA-M
XLogP1.09
TPSA86.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(4-cyanophenoxy)methyl]furan-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(4-carboxylatophenoxy)methyl]furan-2-carboxylate
CID 5147336
5-[(4-chlorophenoxy)methyl]furan-2-carboxylate
CID 4740544
5-[(4-cyanophenoxy)methyl]-N-(2-cyclopentylethyl)furan-2-carboxamide
CID 86886568
4-[(5-nitrofuran-2-yl)methoxy]benzonitrile
CID 43143176
4-[[5-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]furan-2-yl]methoxy]benzonitrile
CID 95281119
4-[(4-cyanophenoxy)methyl]benzonitrile
CID 7894350
5-[(4-cyanophenoxy)methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide
CID 86886561
4-[[5-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]furan-2-yl]methoxy]benzonitrile
CID 86886879
N-(2-amino-2-oxoethyl)-5-[(4-cyanophenoxy)methyl]-N-(2-cyclohexylethyl)furan-2-carboxamide
CID 86886752
5-[(2-methylphenoxy)methyl]furan-2-carboxylate
CID 7015943
4-[[5-[4-(2-hydroxy-2-phenylethyl)piperazine-1-carbonyl]furan-2-yl]methoxy]benzonitrile
CID 86905262
4-[4-[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 55839912

Frequently Asked Questions

What is the IUPAC name of 5-[(4-cyanophenoxy)methyl]furan-2-carboxylate?
The IUPAC name of 5-[(4-cyanophenoxy)methyl]furan-2-carboxylate (CID 4290764) is 5-[(4-cyanophenoxy)methyl]furan-2-carboxylate.
What is the SMILES notation for 5-[(4-cyanophenoxy)methyl]furan-2-carboxylate?
The canonical SMILES for 5-[(4-cyanophenoxy)methyl]furan-2-carboxylate is N#Cc1ccc(OCc2ccc(C(=O)[O-])o2)cc1.
What is the InChIKey of 5-[(4-cyanophenoxy)methyl]furan-2-carboxylate?
The InChIKey is GBTXBOTVXAHUMP-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H9NO4/c14-7-9-1-3-10(4-2-9)17-8-11-5-6-12(18-11)13(15)16/h1-6H,8H2,(H,15,16)/p-1.
What are the key properties of 5-[(4-cyanophenoxy)methyl]furan-2-carboxylate?
5-[(4-cyanophenoxy)methyl]furan-2-carboxylate has a molecular weight of 242.21 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-cyanophenoxy)methyl]furan-2-carboxylate is sourced from PubChem (CID 4290764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).