3-hydroxy-4-methoxy-2,3-dihydropyran-6-one

C6H8O4 — CID 56773935

IUPAC3-hydroxy-4-methoxy-2,3-dihydropyran-6-one
SMILESCOC1=CC(=O)OCC1O
InChIInChI=1S/C6H8O4/c1-9-5-2-6(8)10-3-4(5)7/h2,4,7H,3H2,1H3
InChIKeyPBEXSRJMCVDBFK-UHFFFAOYSA-N
MW144.13 g/mol
LogP-0.57
Rot. Bonds1

About 3-hydroxy-4-methoxy-2,3-dihydropyran-6-one

3-hydroxy-4-methoxy-2,3-dihydropyran-6-one (PubChem CID 56773935) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is 3-hydroxy-4-methoxy-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name3-hydroxy-4-methoxy-2,3-dihydropyran-6-one
PubChem CID56773935
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name3-hydroxy-4-methoxy-2,3-dihydropyran-6-one
SMILESCOC1=CC(=O)OCC1O
InChIInChI=1S/C6H8O4/c1-9-5-2-6(8)10-3-4(5)7/h2,4,7H,3H2,1H3
InChIKeyPBEXSRJMCVDBFK-UHFFFAOYSA-N
XLogP-0.57
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
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 3-hydroxy-4-methoxy-2,3-dihydropyran-6-one?
The IUPAC name of 3-hydroxy-4-methoxy-2,3-dihydropyran-6-one (CID 56773935) is 3-hydroxy-4-methoxy-2,3-dihydropyran-6-one.
What is the SMILES notation for 3-hydroxy-4-methoxy-2,3-dihydropyran-6-one?
The canonical SMILES for 3-hydroxy-4-methoxy-2,3-dihydropyran-6-one is COC1=CC(=O)OCC1O.
What is the InChIKey of 3-hydroxy-4-methoxy-2,3-dihydropyran-6-one?
The InChIKey is PBEXSRJMCVDBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4/c1-9-5-2-6(8)10-3-4(5)7/h2,4,7H,3H2,1H3.
What are the key properties of 3-hydroxy-4-methoxy-2,3-dihydropyran-6-one?
3-hydroxy-4-methoxy-2,3-dihydropyran-6-one has a molecular weight of 144.13 g/mol, XLogP of -0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methoxy-2,3-dihydropyran-6-one is sourced from PubChem (CID 56773935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).