2-(2-hydroxyethyl)-3-methyl-2H-furan-5-one

C7H10O3 — CID 91585770

IUPAC2-(2-hydroxyethyl)-3-methyl-2H-furan-5-one
SMILESCC1=CC(=O)OC1CCO
InChIInChI=1S/C7H10O3/c1-5-4-7(9)10-6(5)2-3-8/h4,6,8H,2-3H2,1H3
InChIKeyLEDJEPWKUYZFFS-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.24
Rot. Bonds2

About 2-(2-hydroxyethyl)-3-methyl-2H-furan-5-one

2-(2-hydroxyethyl)-3-methyl-2H-furan-5-one (PubChem CID 91585770) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-3-methyl-2H-furan-5-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-3-methyl-2H-furan-5-one
PubChem CID91585770
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name2-(2-hydroxyethyl)-3-methyl-2H-furan-5-one
SMILESCC1=CC(=O)OC1CCO
InChIInChI=1S/C7H10O3/c1-5-4-7(9)10-6(5)2-3-8/h4,6,8H,2-3H2,1H3
InChIKeyLEDJEPWKUYZFFS-UHFFFAOYSA-N
XLogP0.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-3-methyl-2H-furan-5-one?
The IUPAC name of 2-(2-hydroxyethyl)-3-methyl-2H-furan-5-one (CID 91585770) is 2-(2-hydroxyethyl)-3-methyl-2H-furan-5-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-3-methyl-2H-furan-5-one?
The canonical SMILES for 2-(2-hydroxyethyl)-3-methyl-2H-furan-5-one is CC1=CC(=O)OC1CCO.
What is the InChIKey of 2-(2-hydroxyethyl)-3-methyl-2H-furan-5-one?
The InChIKey is LEDJEPWKUYZFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-5-4-7(9)10-6(5)2-3-8/h4,6,8H,2-3H2,1H3.
What are the key properties of 2-(2-hydroxyethyl)-3-methyl-2H-furan-5-one?
2-(2-hydroxyethyl)-3-methyl-2H-furan-5-one has a molecular weight of 142.15 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-3-methyl-2H-furan-5-one is sourced from PubChem (CID 91585770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).