2-(4-chlorophenyl)-3,4-dihydroxy-2H-furan-5-one

C10H7ClO4 — CID 54711228

IUPAC2-(4-chlorophenyl)-3,4-dihydroxy-2H-furan-5-one
SMILESO=C1OC(c2ccc(Cl)cc2)C(O)=C1O
InChIInChI=1S/C10H7ClO4/c11-6-3-1-5(2-4-6)9-7(12)8(13)10(14)15-9/h1-4,9,12-13H
InChIKeyRRYHMAJCXCIJCC-UHFFFAOYSA-N
MW226.61 g/mol
LogP2.27
Rot. Bonds1

About 2-(4-chlorophenyl)-3,4-dihydroxy-2H-furan-5-one

2-(4-chlorophenyl)-3,4-dihydroxy-2H-furan-5-one (PubChem CID 54711228) has the molecular formula C10H7ClO4 and a molecular weight of 226.61 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3,4-dihydroxy-2H-furan-5-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3,4-dihydroxy-2H-furan-5-one
PubChem CID54711228
Molecular FormulaC10H7ClO4
Molecular Weight226.61 g/mol
Exact Mass226.00
IUPAC Name2-(4-chlorophenyl)-3,4-dihydroxy-2H-furan-5-one
SMILESO=C1OC(c2ccc(Cl)cc2)C(O)=C1O
InChIInChI=1S/C10H7ClO4/c11-6-3-1-5(2-4-6)9-7(12)8(13)10(14)15-9/h1-4,9,12-13H
InChIKeyRRYHMAJCXCIJCC-UHFFFAOYSA-N
XLogP2.27
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.61
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3,4-dihydroxy-2H-furan-5-one?
The IUPAC name of 2-(4-chlorophenyl)-3,4-dihydroxy-2H-furan-5-one (CID 54711228) is 2-(4-chlorophenyl)-3,4-dihydroxy-2H-furan-5-one.
What is the SMILES notation for 2-(4-chlorophenyl)-3,4-dihydroxy-2H-furan-5-one?
The canonical SMILES for 2-(4-chlorophenyl)-3,4-dihydroxy-2H-furan-5-one is O=C1OC(c2ccc(Cl)cc2)C(O)=C1O.
What is the InChIKey of 2-(4-chlorophenyl)-3,4-dihydroxy-2H-furan-5-one?
The InChIKey is RRYHMAJCXCIJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClO4/c11-6-3-1-5(2-4-6)9-7(12)8(13)10(14)15-9/h1-4,9,12-13H.
What are the key properties of 2-(4-chlorophenyl)-3,4-dihydroxy-2H-furan-5-one?
2-(4-chlorophenyl)-3,4-dihydroxy-2H-furan-5-one has a molecular weight of 226.61 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3,4-dihydroxy-2H-furan-5-one is sourced from PubChem (CID 54711228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).