2-[(4-carboxyphenoxy)methyl]furan-3-carboxylic acid

C13H10O6 — CID 823830

IUPAC2-[(4-carboxyphenoxy)methyl]furan-3-carboxylic acid
SMILESO=C(O)c1ccc(OCc2occc2C(=O)O)cc1
InChIInChI=1S/C13H10O6/c14-12(15)8-1-3-9(4-2-8)19-7-11-10(13(16)17)5-6-18-11/h1-6H,7H2,(H,14,15)(H,16,17)
InChIKeyJUSFUBIIWYZUNN-UHFFFAOYSA-N
MW262.22 g/mol
LogP2.26
Rot. Bonds5

About 2-[(4-carboxyphenoxy)methyl]furan-3-carboxylic acid

2-[(4-carboxyphenoxy)methyl]furan-3-carboxylic acid (PubChem CID 823830) has the molecular formula C13H10O6 and a molecular weight of 262.22 g/mol. Its IUPAC name is 2-[(4-carboxyphenoxy)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4-carboxyphenoxy)methyl]furan-3-carboxylic acid
PubChem CID823830
Molecular FormulaC13H10O6
Molecular Weight262.22 g/mol
Exact Mass262.05
IUPAC Name2-[(4-carboxyphenoxy)methyl]furan-3-carboxylic acid
SMILESO=C(O)c1ccc(OCc2occc2C(=O)O)cc1
InChIInChI=1S/C13H10O6/c14-12(15)8-1-3-9(4-2-8)19-7-11-10(13(16)17)5-6-18-11/h1-6H,7H2,(H,14,15)(H,16,17)
InChIKeyJUSFUBIIWYZUNN-UHFFFAOYSA-N
XLogP2.26
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-acetylphenoxy)methyl]furan-3-carboxylic acid
CID 43419529
2-[(4-propylphenoxy)methyl]furan-3-carboxylic acid
CID 62550489
2-[(3,4-dichlorophenoxy)methyl]furan-3-carboxylic acid
CID 43419560
2-[(4-bromo-3-methylphenoxy)methyl]furan-3-carboxylic acid
CID 83133234
2-[(3-chloro-4-fluorophenoxy)methyl]furan-3-carboxylic acid
CID 43477550
2-[(3-bromo-5-fluorophenoxy)methyl]furan-3-carboxylic acid
CID 81322665
2-[(3-methyl-4-nitrophenoxy)methyl]furan-3-carboxylic acid
CID 43394487
2-[(2,4,6-trimethylphenoxy)methyl]furan-3-carboxylic acid
CID 43419459
2-[[4-[(Z)-2-pyrazin-2-ylprop-1-enyl]phenoxy]methyl]furan-3-carboxylic acid
CID 146127562
2-(phenylmethoxymethyl)furan-3-carboxylic acid
CID 43477489
2-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-3-carboxylic acid
CID 43477473
4-phenylmethoxybenzoic acid
CID 68896574

Frequently Asked Questions

What is the IUPAC name of 2-[(4-carboxyphenoxy)methyl]furan-3-carboxylic acid?
The IUPAC name of 2-[(4-carboxyphenoxy)methyl]furan-3-carboxylic acid (CID 823830) is 2-[(4-carboxyphenoxy)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[(4-carboxyphenoxy)methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[(4-carboxyphenoxy)methyl]furan-3-carboxylic acid is O=C(O)c1ccc(OCc2occc2C(=O)O)cc1.
What is the InChIKey of 2-[(4-carboxyphenoxy)methyl]furan-3-carboxylic acid?
The InChIKey is JUSFUBIIWYZUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O6/c14-12(15)8-1-3-9(4-2-8)19-7-11-10(13(16)17)5-6-18-11/h1-6H,7H2,(H,14,15)(H,16,17).
What are the key properties of 2-[(4-carboxyphenoxy)methyl]furan-3-carboxylic acid?
2-[(4-carboxyphenoxy)methyl]furan-3-carboxylic acid has a molecular weight of 262.22 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-carboxyphenoxy)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 823830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).