4-[(1R)-1-hydroxyethyl]-3-methyl-2H-furan-5-one

C7H10O3 — CID 101241962

IUPAC4-[(1R)-1-hydroxyethyl]-3-methyl-2H-furan-5-one
SMILESCC1=C([C@@H](C)O)C(=O)OC1
InChIInChI=1S/C7H10O3/c1-4-3-10-7(9)6(4)5(2)8/h5,8H,3H2,1-2H3/t5-/m1/s1
InChIKeyFPXJYTMTJMZVMU-RXMQYKEDSA-N
MW142.15 g/mol
LogP0.24
Rot. Bonds1

About 4-[(1R)-1-hydroxyethyl]-3-methyl-2H-furan-5-one

4-[(1R)-1-hydroxyethyl]-3-methyl-2H-furan-5-one (PubChem CID 101241962) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 4-[(1R)-1-hydroxyethyl]-3-methyl-2H-furan-5-one.

Molecular Properties

Compound Name4-[(1R)-1-hydroxyethyl]-3-methyl-2H-furan-5-one
PubChem CID101241962
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name4-[(1R)-1-hydroxyethyl]-3-methyl-2H-furan-5-one
SMILESCC1=C([C@@H](C)O)C(=O)OC1
InChIInChI=1S/C7H10O3/c1-4-3-10-7(9)6(4)5(2)8/h5,8H,3H2,1-2H3/t5-/m1/s1
InChIKeyFPXJYTMTJMZVMU-RXMQYKEDSA-N
XLogP0.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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 4-[(1R)-1-hydroxyethyl]-3-methyl-2H-furan-5-one?
The IUPAC name of 4-[(1R)-1-hydroxyethyl]-3-methyl-2H-furan-5-one (CID 101241962) is 4-[(1R)-1-hydroxyethyl]-3-methyl-2H-furan-5-one.
What is the SMILES notation for 4-[(1R)-1-hydroxyethyl]-3-methyl-2H-furan-5-one?
The canonical SMILES for 4-[(1R)-1-hydroxyethyl]-3-methyl-2H-furan-5-one is CC1=C([C@@H](C)O)C(=O)OC1.
What is the InChIKey of 4-[(1R)-1-hydroxyethyl]-3-methyl-2H-furan-5-one?
The InChIKey is FPXJYTMTJMZVMU-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H10O3/c1-4-3-10-7(9)6(4)5(2)8/h5,8H,3H2,1-2H3/t5-/m1/s1.
What are the key properties of 4-[(1R)-1-hydroxyethyl]-3-methyl-2H-furan-5-one?
4-[(1R)-1-hydroxyethyl]-3-methyl-2H-furan-5-one has a molecular weight of 142.15 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-hydroxyethyl]-3-methyl-2H-furan-5-one is sourced from PubChem (CID 101241962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).