4-benzyl-3-hydroxy-2H-furan-5-one;2-(2-hydroxyethylamino)ethanol

C15H21NO5 — CID 54697198

IUPAC4-benzyl-3-hydroxy-2H-furan-5-one;2-(2-hydroxyethylamino)ethanol
SMILESO=C1OCC(O)=C1Cc1ccccc1.OCCNCCO
InChIInChI=1S/C11H10O3.C4H11NO2/c12-10-7-14-11(13)9(10)6-8-4-2-1-3-5-8;6-3-1-5-2-4-7/h1-5,12H,6-7H2;5-7H,1-4H2
InChIKeyFSEBHPKQMWWULS-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.16
Rot. Bonds6

About 4-benzyl-3-hydroxy-2H-furan-5-one;2-(2-hydroxyethylamino)ethanol

4-benzyl-3-hydroxy-2H-furan-5-one;2-(2-hydroxyethylamino)ethanol (PubChem CID 54697198) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-benzyl-3-hydroxy-2H-furan-5-one;2-(2-hydroxyethylamino)ethanol.

Molecular Properties

Compound Name4-benzyl-3-hydroxy-2H-furan-5-one;2-(2-hydroxyethylamino)ethanol
PubChem CID54697198
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name4-benzyl-3-hydroxy-2H-furan-5-one;2-(2-hydroxyethylamino)ethanol
SMILESO=C1OCC(O)=C1Cc1ccccc1.OCCNCCO
InChIInChI=1S/C11H10O3.C4H11NO2/c12-10-7-14-11(13)9(10)6-8-4-2-1-3-5-8;6-3-1-5-2-4-7/h1-5,12H,6-7H2;5-7H,1-4H2
InChIKeyFSEBHPKQMWWULS-UHFFFAOYSA-N
XLogP0.16
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-hydroxy-2H-furan-5-one;2-(2-hydroxyethylamino)ethanol?
The IUPAC name of 4-benzyl-3-hydroxy-2H-furan-5-one;2-(2-hydroxyethylamino)ethanol (CID 54697198) is 4-benzyl-3-hydroxy-2H-furan-5-one;2-(2-hydroxyethylamino)ethanol.
What is the SMILES notation for 4-benzyl-3-hydroxy-2H-furan-5-one;2-(2-hydroxyethylamino)ethanol?
The canonical SMILES for 4-benzyl-3-hydroxy-2H-furan-5-one;2-(2-hydroxyethylamino)ethanol is O=C1OCC(O)=C1Cc1ccccc1.OCCNCCO.
What is the InChIKey of 4-benzyl-3-hydroxy-2H-furan-5-one;2-(2-hydroxyethylamino)ethanol?
The InChIKey is FSEBHPKQMWWULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3.C4H11NO2/c12-10-7-14-11(13)9(10)6-8-4-2-1-3-5-8;6-3-1-5-2-4-7/h1-5,12H,6-7H2;5-7H,1-4H2.
What are the key properties of 4-benzyl-3-hydroxy-2H-furan-5-one;2-(2-hydroxyethylamino)ethanol?
4-benzyl-3-hydroxy-2H-furan-5-one;2-(2-hydroxyethylamino)ethanol has a molecular weight of 295.34 g/mol, XLogP of 0.16, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-hydroxy-2H-furan-5-one;2-(2-hydroxyethylamino)ethanol is sourced from PubChem (CID 54697198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).