5-oxo-2-phenyl-2H-furan-3-carboxylic acid

C11H8O4 — CID 70388760

IUPAC5-oxo-2-phenyl-2H-furan-3-carboxylic acid
SMILESO=C1C=C(C(=O)O)C(c2ccccc2)O1
InChIInChI=1S/C11H8O4/c12-9-6-8(11(13)14)10(15-9)7-4-2-1-3-5-7/h1-6,10H,(H,13,14)
InChIKeyROPBFZGJUQVYPP-UHFFFAOYSA-N
MW204.18 g/mol
LogP1.30
Rot. Bonds2

About 5-oxo-2-phenyl-2H-furan-3-carboxylic acid

5-oxo-2-phenyl-2H-furan-3-carboxylic acid (PubChem CID 70388760) has the molecular formula C11H8O4 and a molecular weight of 204.18 g/mol. Its IUPAC name is 5-oxo-2-phenyl-2H-furan-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-2-phenyl-2H-furan-3-carboxylic acid
PubChem CID70388760
Molecular FormulaC11H8O4
Molecular Weight204.18 g/mol
Exact Mass204.04
IUPAC Name5-oxo-2-phenyl-2H-furan-3-carboxylic acid
SMILESO=C1C=C(C(=O)O)C(c2ccccc2)O1
InChIInChI=1S/C11H8O4/c12-9-6-8(11(13)14)10(15-9)7-4-2-1-3-5-7/h1-6,10H,(H,13,14)
InChIKeyROPBFZGJUQVYPP-UHFFFAOYSA-N
XLogP1.30
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-2-phenyl-2H-furan-3-carboxylic acid?
The IUPAC name of 5-oxo-2-phenyl-2H-furan-3-carboxylic acid (CID 70388760) is 5-oxo-2-phenyl-2H-furan-3-carboxylic acid.
What is the SMILES notation for 5-oxo-2-phenyl-2H-furan-3-carboxylic acid?
The canonical SMILES for 5-oxo-2-phenyl-2H-furan-3-carboxylic acid is O=C1C=C(C(=O)O)C(c2ccccc2)O1.
What is the InChIKey of 5-oxo-2-phenyl-2H-furan-3-carboxylic acid?
The InChIKey is ROPBFZGJUQVYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O4/c12-9-6-8(11(13)14)10(15-9)7-4-2-1-3-5-7/h1-6,10H,(H,13,14).
What are the key properties of 5-oxo-2-phenyl-2H-furan-3-carboxylic acid?
5-oxo-2-phenyl-2H-furan-3-carboxylic acid has a molecular weight of 204.18 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-2-phenyl-2H-furan-3-carboxylic acid is sourced from PubChem (CID 70388760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).