5-(hydroxymethyl)-5-methoxyfuran-2-one

C6H8O4 — CID 13308657

IUPAC5-(hydroxymethyl)-5-methoxyfuran-2-one
SMILESCOC1(CO)C=CC(=O)O1
InChIInChI=1S/C6H8O4/c1-9-6(4-7)3-2-5(8)10-6/h2-3,7H,4H2,1H3
InChIKeyNZRKONCKXWNFQX-UHFFFAOYSA-N
MW144.13 g/mol
LogP-0.57
Rot. Bonds2

About 5-(hydroxymethyl)-5-methoxyfuran-2-one

5-(hydroxymethyl)-5-methoxyfuran-2-one (PubChem CID 13308657) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is 5-(hydroxymethyl)-5-methoxyfuran-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-5-methoxyfuran-2-one
PubChem CID13308657
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name5-(hydroxymethyl)-5-methoxyfuran-2-one
SMILESCOC1(CO)C=CC(=O)O1
InChIInChI=1S/C6H8O4/c1-9-6(4-7)3-2-5(8)10-6/h2-3,7H,4H2,1H3
InChIKeyNZRKONCKXWNFQX-UHFFFAOYSA-N
XLogP-0.57
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-5-methoxyfuran-2-one?
The IUPAC name of 5-(hydroxymethyl)-5-methoxyfuran-2-one (CID 13308657) is 5-(hydroxymethyl)-5-methoxyfuran-2-one.
What is the SMILES notation for 5-(hydroxymethyl)-5-methoxyfuran-2-one?
The canonical SMILES for 5-(hydroxymethyl)-5-methoxyfuran-2-one is COC1(CO)C=CC(=O)O1.
What is the InChIKey of 5-(hydroxymethyl)-5-methoxyfuran-2-one?
The InChIKey is NZRKONCKXWNFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4/c1-9-6(4-7)3-2-5(8)10-6/h2-3,7H,4H2,1H3.
What are the key properties of 5-(hydroxymethyl)-5-methoxyfuran-2-one?
5-(hydroxymethyl)-5-methoxyfuran-2-one has a molecular weight of 144.13 g/mol, XLogP of -0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-5-methoxyfuran-2-one is sourced from PubChem (CID 13308657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).