2-(1,2-dihydroxyethyl)-3-hydroxy-4-phenylmethoxy-2H-furan-5-one

C13H14O6 — CID 54726561

IUPAC2-(1,2-dihydroxyethyl)-3-hydroxy-4-phenylmethoxy-2H-furan-5-one
SMILESO=C1OC(C(O)CO)C(O)=C1OCc1ccccc1
InChIInChI=1S/C13H14O6/c14-6-9(15)11-10(16)12(13(17)19-11)18-7-8-4-2-1-3-5-8/h1-5,9,11,14-16H,6-7H2
InChIKeyPTQLGCKYGNFCEZ-UHFFFAOYSA-N
MW266.25 g/mol
LogP0.25
Rot. Bonds5

About 2-(1,2-dihydroxyethyl)-3-hydroxy-4-phenylmethoxy-2H-furan-5-one

2-(1,2-dihydroxyethyl)-3-hydroxy-4-phenylmethoxy-2H-furan-5-one (PubChem CID 54726561) has the molecular formula C13H14O6 and a molecular weight of 266.25 g/mol. Its IUPAC name is 2-(1,2-dihydroxyethyl)-3-hydroxy-4-phenylmethoxy-2H-furan-5-one.

Molecular Properties

Compound Name2-(1,2-dihydroxyethyl)-3-hydroxy-4-phenylmethoxy-2H-furan-5-one
PubChem CID54726561
Molecular FormulaC13H14O6
Molecular Weight266.25 g/mol
Exact Mass266.08
IUPAC Name2-(1,2-dihydroxyethyl)-3-hydroxy-4-phenylmethoxy-2H-furan-5-one
SMILESO=C1OC(C(O)CO)C(O)=C1OCc1ccccc1
InChIInChI=1S/C13H14O6/c14-6-9(15)11-10(16)12(13(17)19-11)18-7-8-4-2-1-3-5-8/h1-5,9,11,14-16H,6-7H2
InChIKeyPTQLGCKYGNFCEZ-UHFFFAOYSA-N
XLogP0.25
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroxyethyl)-3-hydroxy-4-phenylmethoxy-2H-furan-5-one?
The IUPAC name of 2-(1,2-dihydroxyethyl)-3-hydroxy-4-phenylmethoxy-2H-furan-5-one (CID 54726561) is 2-(1,2-dihydroxyethyl)-3-hydroxy-4-phenylmethoxy-2H-furan-5-one.
What is the SMILES notation for 2-(1,2-dihydroxyethyl)-3-hydroxy-4-phenylmethoxy-2H-furan-5-one?
The canonical SMILES for 2-(1,2-dihydroxyethyl)-3-hydroxy-4-phenylmethoxy-2H-furan-5-one is O=C1OC(C(O)CO)C(O)=C1OCc1ccccc1.
What is the InChIKey of 2-(1,2-dihydroxyethyl)-3-hydroxy-4-phenylmethoxy-2H-furan-5-one?
The InChIKey is PTQLGCKYGNFCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O6/c14-6-9(15)11-10(16)12(13(17)19-11)18-7-8-4-2-1-3-5-8/h1-5,9,11,14-16H,6-7H2.
What are the key properties of 2-(1,2-dihydroxyethyl)-3-hydroxy-4-phenylmethoxy-2H-furan-5-one?
2-(1,2-dihydroxyethyl)-3-hydroxy-4-phenylmethoxy-2H-furan-5-one has a molecular weight of 266.25 g/mol, XLogP of 0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroxyethyl)-3-hydroxy-4-phenylmethoxy-2H-furan-5-one is sourced from PubChem (CID 54726561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).