3,4-dihydroxy-2-phenyl-2H-furan-5-one

C10H8O4 — CID 54676634

IUPAC3,4-dihydroxy-2-phenyl-2H-furan-5-one
SMILESO=C1OC(c2ccccc2)C(O)=C1O
InChIInChI=1S/C10H8O4/c11-7-8(12)10(13)14-9(7)6-4-2-1-3-5-6/h1-5,9,11-12H
InChIKeyJTJHHCGTUJXRQU-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.61
Rot. Bonds1

About 3,4-dihydroxy-2-phenyl-2H-furan-5-one

3,4-dihydroxy-2-phenyl-2H-furan-5-one (PubChem CID 54676634) has the molecular formula C10H8O4 and a molecular weight of 192.17 g/mol. Its IUPAC name is 3,4-dihydroxy-2-phenyl-2H-furan-5-one.

Molecular Properties

Compound Name3,4-dihydroxy-2-phenyl-2H-furan-5-one
PubChem CID54676634
Molecular FormulaC10H8O4
Molecular Weight192.17 g/mol
Exact Mass192.04
IUPAC Name3,4-dihydroxy-2-phenyl-2H-furan-5-one
SMILESO=C1OC(c2ccccc2)C(O)=C1O
InChIInChI=1S/C10H8O4/c11-7-8(12)10(13)14-9(7)6-4-2-1-3-5-6/h1-5,9,11-12H
InChIKeyJTJHHCGTUJXRQU-UHFFFAOYSA-N
XLogP1.61
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-2-phenyl-2H-furan-5-one?
The IUPAC name of 3,4-dihydroxy-2-phenyl-2H-furan-5-one (CID 54676634) is 3,4-dihydroxy-2-phenyl-2H-furan-5-one.
What is the SMILES notation for 3,4-dihydroxy-2-phenyl-2H-furan-5-one?
The canonical SMILES for 3,4-dihydroxy-2-phenyl-2H-furan-5-one is O=C1OC(c2ccccc2)C(O)=C1O.
What is the InChIKey of 3,4-dihydroxy-2-phenyl-2H-furan-5-one?
The InChIKey is JTJHHCGTUJXRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O4/c11-7-8(12)10(13)14-9(7)6-4-2-1-3-5-6/h1-5,9,11-12H.
What are the key properties of 3,4-dihydroxy-2-phenyl-2H-furan-5-one?
3,4-dihydroxy-2-phenyl-2H-furan-5-one has a molecular weight of 192.17 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-2-phenyl-2H-furan-5-one is sourced from PubChem (CID 54676634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).