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

C7H10O4 — CID 54736778

IUPAC3-hydroxy-2-(2-hydroxyethyl)-4-methyl-2H-furan-5-one
SMILESCC1=C(O)C(CCO)OC1=O
InChIInChI=1S/C7H10O4/c1-4-6(9)5(2-3-8)11-7(4)10/h5,8-9H,2-3H2,1H3
InChIKeyPNTPWDFVCPXKRO-UHFFFAOYSA-N
MW158.15 g/mol
LogP0.13
Rot. Bonds2

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

3-hydroxy-2-(2-hydroxyethyl)-4-methyl-2H-furan-5-one (PubChem CID 54736778) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is 3-hydroxy-2-(2-hydroxyethyl)-4-methyl-2H-furan-5-one.

Molecular Properties

Compound Name3-hydroxy-2-(2-hydroxyethyl)-4-methyl-2H-furan-5-one
PubChem CID54736778
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name3-hydroxy-2-(2-hydroxyethyl)-4-methyl-2H-furan-5-one
SMILESCC1=C(O)C(CCO)OC1=O
InChIInChI=1S/C7H10O4/c1-4-6(9)5(2-3-8)11-7(4)10/h5,8-9H,2-3H2,1H3
InChIKeyPNTPWDFVCPXKRO-UHFFFAOYSA-N
XLogP0.13
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(2-hydroxyethyl)-4-methyl-2H-furan-5-one?
The IUPAC name of 3-hydroxy-2-(2-hydroxyethyl)-4-methyl-2H-furan-5-one (CID 54736778) is 3-hydroxy-2-(2-hydroxyethyl)-4-methyl-2H-furan-5-one.
What is the SMILES notation for 3-hydroxy-2-(2-hydroxyethyl)-4-methyl-2H-furan-5-one?
The canonical SMILES for 3-hydroxy-2-(2-hydroxyethyl)-4-methyl-2H-furan-5-one is CC1=C(O)C(CCO)OC1=O.
What is the InChIKey of 3-hydroxy-2-(2-hydroxyethyl)-4-methyl-2H-furan-5-one?
The InChIKey is PNTPWDFVCPXKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c1-4-6(9)5(2-3-8)11-7(4)10/h5,8-9H,2-3H2,1H3.
What are the key properties of 3-hydroxy-2-(2-hydroxyethyl)-4-methyl-2H-furan-5-one?
3-hydroxy-2-(2-hydroxyethyl)-4-methyl-2H-furan-5-one has a molecular weight of 158.15 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(2-hydroxyethyl)-4-methyl-2H-furan-5-one is sourced from PubChem (CID 54736778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).