3-hydroxy-2-(2-hydroxyethyl)-4-phenylmethoxy-2H-furan-5-one

C13H14O5 — CID 54723596

IUPAC3-hydroxy-2-(2-hydroxyethyl)-4-phenylmethoxy-2H-furan-5-one
SMILESO=C1OC(CCO)C(O)=C1OCc1ccccc1
InChIInChI=1S/C13H14O5/c14-7-6-10-11(15)12(13(16)18-10)17-8-9-4-2-1-3-5-9/h1-5,10,14-15H,6-8H2
InChIKeyDTAQVOYIZWDIGD-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.28
Rot. Bonds5

About 3-hydroxy-2-(2-hydroxyethyl)-4-phenylmethoxy-2H-furan-5-one

3-hydroxy-2-(2-hydroxyethyl)-4-phenylmethoxy-2H-furan-5-one (PubChem CID 54723596) has the molecular formula C13H14O5 and a molecular weight of 250.25 g/mol. Its IUPAC name is 3-hydroxy-2-(2-hydroxyethyl)-4-phenylmethoxy-2H-furan-5-one.

Molecular Properties

Compound Name3-hydroxy-2-(2-hydroxyethyl)-4-phenylmethoxy-2H-furan-5-one
PubChem CID54723596
Molecular FormulaC13H14O5
Molecular Weight250.25 g/mol
Exact Mass250.08
IUPAC Name3-hydroxy-2-(2-hydroxyethyl)-4-phenylmethoxy-2H-furan-5-one
SMILESO=C1OC(CCO)C(O)=C1OCc1ccccc1
InChIInChI=1S/C13H14O5/c14-7-6-10-11(15)12(13(16)18-10)17-8-9-4-2-1-3-5-9/h1-5,10,14-15H,6-8H2
InChIKeyDTAQVOYIZWDIGD-UHFFFAOYSA-N
XLogP1.28
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-4-phenylmethoxy-2H-furan-5-one
CID 70356460
2-(2-hydroxyethyl)-3,4-bis[[4-(methylamino)phenyl]methoxy]-2H-furan-5-one;phosphoric acid
CID 144525890
2-[2-(2-hydroxypropan-2-yloxy)ethyl]-3,4-bis(phenylmethoxy)-2H-furan-5-one
CID 162753420
ethyl 2-octyl-5-oxo-4-phenylmethoxy-2H-furan-3-carboxylate
CID 59180469
3-(2-hydroxyethyl)-6-methyl-5-phenylmethoxy-3H-pyridin-4-one
CID 67831100
3,4-bis[(3-chloro-2,4-difluorophenyl)methoxy]-2-(2-hydroxyethyl)-2H-furan-5-one;dibenzyl hydrogen phosphate
CID 144525941
2-(1-hydroxy-2-methoxyethyl)-3,4-bis(phenylmethoxy)-2H-furan-5-one
CID 142525192
(2R)-2-[(2S)-oxiran-2-yl]-3,4-bis(phenylmethoxy)-2H-furan-5-one
CID 10640735
3-hydroxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3-dihydropyran-6-one
CID 142842432
ethyl 2-methyl-5-oxo-4-phenylmethoxy-2H-furan-3-carboxylate
CID 70918238
(4S,5S)-5-(2-hydroxyethyl)-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one
CID 11128759
(3R,4R)-4-(4-hydroxybutyl)-3-phenylmethoxyoxetan-2-one
CID 11097002

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(2-hydroxyethyl)-4-phenylmethoxy-2H-furan-5-one?
The IUPAC name of 3-hydroxy-2-(2-hydroxyethyl)-4-phenylmethoxy-2H-furan-5-one (CID 54723596) is 3-hydroxy-2-(2-hydroxyethyl)-4-phenylmethoxy-2H-furan-5-one.
What is the SMILES notation for 3-hydroxy-2-(2-hydroxyethyl)-4-phenylmethoxy-2H-furan-5-one?
The canonical SMILES for 3-hydroxy-2-(2-hydroxyethyl)-4-phenylmethoxy-2H-furan-5-one is O=C1OC(CCO)C(O)=C1OCc1ccccc1.
What is the InChIKey of 3-hydroxy-2-(2-hydroxyethyl)-4-phenylmethoxy-2H-furan-5-one?
The InChIKey is DTAQVOYIZWDIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O5/c14-7-6-10-11(15)12(13(16)18-10)17-8-9-4-2-1-3-5-9/h1-5,10,14-15H,6-8H2.
What are the key properties of 3-hydroxy-2-(2-hydroxyethyl)-4-phenylmethoxy-2H-furan-5-one?
3-hydroxy-2-(2-hydroxyethyl)-4-phenylmethoxy-2H-furan-5-one has a molecular weight of 250.25 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(2-hydroxyethyl)-4-phenylmethoxy-2H-furan-5-one is sourced from PubChem (CID 54723596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).