4-hydroxy-3-propyl-2H-furan-5-one

C7H10O3 — CID 15176651

IUPAC4-hydroxy-3-propyl-2H-furan-5-one
SMILESCCCC1=C(O)C(=O)OC1
InChIInChI=1S/C7H10O3/c1-2-3-5-4-10-7(9)6(5)8/h8H,2-4H2,1H3
InChIKeyOMQSYNVOBZULAO-UHFFFAOYSA-N
MW142.15 g/mol
LogP1.16
Rot. Bonds2

About 4-hydroxy-3-propyl-2H-furan-5-one

4-hydroxy-3-propyl-2H-furan-5-one (PubChem CID 15176651) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 4-hydroxy-3-propyl-2H-furan-5-one.

Molecular Properties

Compound Name4-hydroxy-3-propyl-2H-furan-5-one
PubChem CID15176651
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name4-hydroxy-3-propyl-2H-furan-5-one
SMILESCCCC1=C(O)C(=O)OC1
InChIInChI=1S/C7H10O3/c1-2-3-5-4-10-7(9)6(5)8/h8H,2-4H2,1H3
InChIKeyOMQSYNVOBZULAO-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-propyl-2H-furan-5-one?
The IUPAC name of 4-hydroxy-3-propyl-2H-furan-5-one (CID 15176651) is 4-hydroxy-3-propyl-2H-furan-5-one.
What is the SMILES notation for 4-hydroxy-3-propyl-2H-furan-5-one?
The canonical SMILES for 4-hydroxy-3-propyl-2H-furan-5-one is CCCC1=C(O)C(=O)OC1.
What is the InChIKey of 4-hydroxy-3-propyl-2H-furan-5-one?
The InChIKey is OMQSYNVOBZULAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-2-3-5-4-10-7(9)6(5)8/h8H,2-4H2,1H3.
What are the key properties of 4-hydroxy-3-propyl-2H-furan-5-one?
4-hydroxy-3-propyl-2H-furan-5-one has a molecular weight of 142.15 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-propyl-2H-furan-5-one is sourced from PubChem (CID 15176651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).