4-hydroxy-5-(1,2,3-trihydroxy-3-phenylpropyl)-3H-furan-2-one

C13H14O6 — CID 20979954

IUPAC4-hydroxy-5-(1,2,3-trihydroxy-3-phenylpropyl)-3H-furan-2-one
SMILESO=C1CC(O)=C(C(O)C(O)C(O)c2ccccc2)O1
InChIInChI=1S/C13H14O6/c14-8-6-9(15)19-13(8)12(18)11(17)10(16)7-4-2-1-3-5-7/h1-5,10-12,14,16-18H,6H2
InChIKeyKWLXFJYZPKBWOF-UHFFFAOYSA-N
MW266.25 g/mol
LogP0.16
Rot. Bonds4

About 4-hydroxy-5-(1,2,3-trihydroxy-3-phenylpropyl)-3H-furan-2-one

4-hydroxy-5-(1,2,3-trihydroxy-3-phenylpropyl)-3H-furan-2-one (PubChem CID 20979954) has the molecular formula C13H14O6 and a molecular weight of 266.25 g/mol. Its IUPAC name is 4-hydroxy-5-(1,2,3-trihydroxy-3-phenylpropyl)-3H-furan-2-one.

Molecular Properties

Compound Name4-hydroxy-5-(1,2,3-trihydroxy-3-phenylpropyl)-3H-furan-2-one
PubChem CID20979954
Molecular FormulaC13H14O6
Molecular Weight266.25 g/mol
Exact Mass266.08
IUPAC Name4-hydroxy-5-(1,2,3-trihydroxy-3-phenylpropyl)-3H-furan-2-one
SMILESO=C1CC(O)=C(C(O)C(O)C(O)c2ccccc2)O1
InChIInChI=1S/C13H14O6/c14-8-6-9(15)19-13(8)12(18)11(17)10(16)7-4-2-1-3-5-7/h1-5,10-12,14,16-18H,6H2
InChIKeyKWLXFJYZPKBWOF-UHFFFAOYSA-N
XLogP0.16
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 50.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(1,2,3-trihydroxy-3-phenylpropyl)-3H-furan-2-one?
The IUPAC name of 4-hydroxy-5-(1,2,3-trihydroxy-3-phenylpropyl)-3H-furan-2-one (CID 20979954) is 4-hydroxy-5-(1,2,3-trihydroxy-3-phenylpropyl)-3H-furan-2-one.
What is the SMILES notation for 4-hydroxy-5-(1,2,3-trihydroxy-3-phenylpropyl)-3H-furan-2-one?
The canonical SMILES for 4-hydroxy-5-(1,2,3-trihydroxy-3-phenylpropyl)-3H-furan-2-one is O=C1CC(O)=C(C(O)C(O)C(O)c2ccccc2)O1.
What is the InChIKey of 4-hydroxy-5-(1,2,3-trihydroxy-3-phenylpropyl)-3H-furan-2-one?
The InChIKey is KWLXFJYZPKBWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O6/c14-8-6-9(15)19-13(8)12(18)11(17)10(16)7-4-2-1-3-5-7/h1-5,10-12,14,16-18H,6H2.
What are the key properties of 4-hydroxy-5-(1,2,3-trihydroxy-3-phenylpropyl)-3H-furan-2-one?
4-hydroxy-5-(1,2,3-trihydroxy-3-phenylpropyl)-3H-furan-2-one has a molecular weight of 266.25 g/mol, XLogP of 0.16, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(1,2,3-trihydroxy-3-phenylpropyl)-3H-furan-2-one is sourced from PubChem (CID 20979954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).