2-hydroxy-3,4-bis(phenylmethoxymethyl)-2H-furan-5-one

C20H20O5 — CID 11416517

IUPAC2-hydroxy-3,4-bis(phenylmethoxymethyl)-2H-furan-5-one
SMILESO=C1OC(O)C(COCc2ccccc2)=C1COCc1ccccc1
InChIInChI=1S/C20H20O5/c21-19-17(13-23-11-15-7-3-1-4-8-15)18(20(22)25-19)14-24-12-16-9-5-2-6-10-16/h1-10,19,21H,11-14H2
InChIKeyREECFMRNRIIZMN-UHFFFAOYSA-N
MW340.37 g/mol
LogP2.59
Rot. Bonds8

About 2-hydroxy-3,4-bis(phenylmethoxymethyl)-2H-furan-5-one

2-hydroxy-3,4-bis(phenylmethoxymethyl)-2H-furan-5-one (PubChem CID 11416517) has the molecular formula C20H20O5 and a molecular weight of 340.37 g/mol. Its IUPAC name is 2-hydroxy-3,4-bis(phenylmethoxymethyl)-2H-furan-5-one.

Molecular Properties

Compound Name2-hydroxy-3,4-bis(phenylmethoxymethyl)-2H-furan-5-one
PubChem CID11416517
Molecular FormulaC20H20O5
Molecular Weight340.37 g/mol
Exact Mass340.13
IUPAC Name2-hydroxy-3,4-bis(phenylmethoxymethyl)-2H-furan-5-one
SMILESO=C1OC(O)C(COCc2ccccc2)=C1COCc1ccccc1
InChIInChI=1S/C20H20O5/c21-19-17(13-23-11-15-7-3-1-4-8-15)18(20(22)25-19)14-24-12-16-9-5-2-6-10-16/h1-10,19,21H,11-14H2
InChIKeyREECFMRNRIIZMN-UHFFFAOYSA-N
XLogP2.59
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,4-bis(phenylmethoxymethyl)-2H-furan-5-one?
The IUPAC name of 2-hydroxy-3,4-bis(phenylmethoxymethyl)-2H-furan-5-one (CID 11416517) is 2-hydroxy-3,4-bis(phenylmethoxymethyl)-2H-furan-5-one.
What is the SMILES notation for 2-hydroxy-3,4-bis(phenylmethoxymethyl)-2H-furan-5-one?
The canonical SMILES for 2-hydroxy-3,4-bis(phenylmethoxymethyl)-2H-furan-5-one is O=C1OC(O)C(COCc2ccccc2)=C1COCc1ccccc1.
What is the InChIKey of 2-hydroxy-3,4-bis(phenylmethoxymethyl)-2H-furan-5-one?
The InChIKey is REECFMRNRIIZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O5/c21-19-17(13-23-11-15-7-3-1-4-8-15)18(20(22)25-19)14-24-12-16-9-5-2-6-10-16/h1-10,19,21H,11-14H2.
What are the key properties of 2-hydroxy-3,4-bis(phenylmethoxymethyl)-2H-furan-5-one?
2-hydroxy-3,4-bis(phenylmethoxymethyl)-2H-furan-5-one has a molecular weight of 340.37 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,4-bis(phenylmethoxymethyl)-2H-furan-5-one is sourced from PubChem (CID 11416517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).