5-[(2-cyanophenoxy)methyl]furan-3-carboxylic acid

C13H9NO4 — CID 62269373

IUPAC5-[(2-cyanophenoxy)methyl]furan-3-carboxylic acid
SMILESN#Cc1ccccc1OCc1cc(C(=O)O)co1
InChIInChI=1S/C13H9NO4/c14-6-9-3-1-2-4-12(9)18-8-11-5-10(7-17-11)13(15)16/h1-5,7H,8H2,(H,15,16)
InChIKeyGIJWYUOJXGBUMD-UHFFFAOYSA-N
MW243.22 g/mol
LogP2.43
Rot. Bonds4

About 5-[(2-cyanophenoxy)methyl]furan-3-carboxylic acid

5-[(2-cyanophenoxy)methyl]furan-3-carboxylic acid (PubChem CID 62269373) has the molecular formula C13H9NO4 and a molecular weight of 243.22 g/mol. Its IUPAC name is 5-[(2-cyanophenoxy)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-cyanophenoxy)methyl]furan-3-carboxylic acid
PubChem CID62269373
Molecular FormulaC13H9NO4
Molecular Weight243.22 g/mol
Exact Mass243.05
IUPAC Name5-[(2-cyanophenoxy)methyl]furan-3-carboxylic acid
SMILESN#Cc1ccccc1OCc1cc(C(=O)O)co1
InChIInChI=1S/C13H9NO4/c14-6-9-3-1-2-4-12(9)18-8-11-5-10(7-17-11)13(15)16/h1-5,7H,8H2,(H,15,16)
InChIKeyGIJWYUOJXGBUMD-UHFFFAOYSA-N
XLogP2.43
TPSA83.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-ethylphenoxy)methyl]furan-3-carboxylic acid
CID 55055885
5-[(3-chloro-4-cyanophenoxy)methyl]furan-3-carboxylic acid
CID 102723937
3-[(2-cyanophenoxy)methyl]benzoic acid
CID 24708246
5-[(2-chloro-4-fluorophenoxy)methyl]furan-3-carboxylic acid
CID 62267976
2-amino-6-[(2-cyanophenoxy)methyl]benzoic acid
CID 104825344
5-[(2-methoxy-4-nitrophenoxy)methyl]furan-3-carboxylic acid
CID 62267266
5-[(4-ethoxyphenoxy)methyl]furan-3-carboxylic acid
CID 62268499
2-[[5-(azepane-1-carbonyl)furan-2-yl]methoxy]benzonitrile
CID 47051145
5-[(3,5-dichlorophenoxy)methyl]furan-3-carboxylic acid
CID 55055887
5-[(3,4-dimethylphenoxy)methyl]furan-3-carboxylic acid
CID 62269914
3-chloro-4-[(2-cyanophenyl)methoxy]benzoic acid
CID 45286796
2-[[2-[2-(2-methylphenyl)ethynyl]phenyl]methoxy]benzonitrile
CID 122386147

Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyanophenoxy)methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(2-cyanophenoxy)methyl]furan-3-carboxylic acid (CID 62269373) is 5-[(2-cyanophenoxy)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(2-cyanophenoxy)methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(2-cyanophenoxy)methyl]furan-3-carboxylic acid is N#Cc1ccccc1OCc1cc(C(=O)O)co1.
What is the InChIKey of 5-[(2-cyanophenoxy)methyl]furan-3-carboxylic acid?
The InChIKey is GIJWYUOJXGBUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO4/c14-6-9-3-1-2-4-12(9)18-8-11-5-10(7-17-11)13(15)16/h1-5,7H,8H2,(H,15,16).
What are the key properties of 5-[(2-cyanophenoxy)methyl]furan-3-carboxylic acid?
5-[(2-cyanophenoxy)methyl]furan-3-carboxylic acid has a molecular weight of 243.22 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyanophenoxy)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 62269373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).