5-phenoxyfuran-2-carboxylic acid

C11H8O4 — CID 2812790

IUPAC5-phenoxyfuran-2-carboxylic acid
SMILESO=C(O)c1ccc(Oc2ccccc2)o1
InChIInChI=1S/C11H8O4/c12-11(13)9-6-7-10(15-9)14-8-4-2-1-3-5-8/h1-7H,(H,12,13)
InChIKeyQQKXTFLRAZKJJO-UHFFFAOYSA-N
MW204.18 g/mol
LogP2.77
Rot. Bonds3

About 5-phenoxyfuran-2-carboxylic acid

5-phenoxyfuran-2-carboxylic acid (PubChem CID 2812790) has the molecular formula C11H8O4 and a molecular weight of 204.18 g/mol. Its IUPAC name is 5-phenoxyfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-phenoxyfuran-2-carboxylic acid
PubChem CID2812790
Molecular FormulaC11H8O4
Molecular Weight204.18 g/mol
Exact Mass204.04
IUPAC Name5-phenoxyfuran-2-carboxylic acid
SMILESO=C(O)c1ccc(Oc2ccccc2)o1
InChIInChI=1S/C11H8O4/c12-11(13)9-6-7-10(15-9)14-8-4-2-1-3-5-8/h1-7H,(H,12,13)
InChIKeyQQKXTFLRAZKJJO-UHFFFAOYSA-N
XLogP2.77
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenoxyfuran-2-carboxylic acid?
The IUPAC name of 5-phenoxyfuran-2-carboxylic acid (CID 2812790) is 5-phenoxyfuran-2-carboxylic acid.
What is the SMILES notation for 5-phenoxyfuran-2-carboxylic acid?
The canonical SMILES for 5-phenoxyfuran-2-carboxylic acid is O=C(O)c1ccc(Oc2ccccc2)o1.
What is the InChIKey of 5-phenoxyfuran-2-carboxylic acid?
The InChIKey is QQKXTFLRAZKJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O4/c12-11(13)9-6-7-10(15-9)14-8-4-2-1-3-5-8/h1-7H,(H,12,13).
What are the key properties of 5-phenoxyfuran-2-carboxylic acid?
5-phenoxyfuran-2-carboxylic acid has a molecular weight of 204.18 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenoxyfuran-2-carboxylic acid is sourced from PubChem (CID 2812790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).