3-hydroxy-2-(phenylmethoxymethyl)-2H-furan-5-one

C12H12O4 — CID 54714014

IUPAC3-hydroxy-2-(phenylmethoxymethyl)-2H-furan-5-one
SMILESO=C1C=C(O)C(COCc2ccccc2)O1
InChIInChI=1S/C12H12O4/c13-10-6-12(14)16-11(10)8-15-7-9-4-2-1-3-5-9/h1-6,11,13H,7-8H2
InChIKeyPDGIEFNCAMLMPN-UHFFFAOYSA-N
MW220.22 g/mol
LogP1.57
Rot. Bonds4

About 3-hydroxy-2-(phenylmethoxymethyl)-2H-furan-5-one

3-hydroxy-2-(phenylmethoxymethyl)-2H-furan-5-one (PubChem CID 54714014) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is 3-hydroxy-2-(phenylmethoxymethyl)-2H-furan-5-one.

Molecular Properties

Compound Name3-hydroxy-2-(phenylmethoxymethyl)-2H-furan-5-one
PubChem CID54714014
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name3-hydroxy-2-(phenylmethoxymethyl)-2H-furan-5-one
SMILESO=C1C=C(O)C(COCc2ccccc2)O1
InChIInChI=1S/C12H12O4/c13-10-6-12(14)16-11(10)8-15-7-9-4-2-1-3-5-9/h1-6,11,13H,7-8H2
InChIKeyPDGIEFNCAMLMPN-UHFFFAOYSA-N
XLogP1.57
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(phenylmethoxymethyl)-2H-furan-5-one?
The IUPAC name of 3-hydroxy-2-(phenylmethoxymethyl)-2H-furan-5-one (CID 54714014) is 3-hydroxy-2-(phenylmethoxymethyl)-2H-furan-5-one.
What is the SMILES notation for 3-hydroxy-2-(phenylmethoxymethyl)-2H-furan-5-one?
The canonical SMILES for 3-hydroxy-2-(phenylmethoxymethyl)-2H-furan-5-one is O=C1C=C(O)C(COCc2ccccc2)O1.
What is the InChIKey of 3-hydroxy-2-(phenylmethoxymethyl)-2H-furan-5-one?
The InChIKey is PDGIEFNCAMLMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4/c13-10-6-12(14)16-11(10)8-15-7-9-4-2-1-3-5-9/h1-6,11,13H,7-8H2.
What are the key properties of 3-hydroxy-2-(phenylmethoxymethyl)-2H-furan-5-one?
3-hydroxy-2-(phenylmethoxymethyl)-2H-furan-5-one has a molecular weight of 220.22 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(phenylmethoxymethyl)-2H-furan-5-one is sourced from PubChem (CID 54714014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).