2-(hydroxymethyl)-4-methoxy-2,3-dihydropyran-6-one

C7H10O4 — CID 56773906

IUPAC2-(hydroxymethyl)-4-methoxy-2,3-dihydropyran-6-one
SMILESCOC1=CC(=O)OC(CO)C1
InChIInChI=1S/C7H10O4/c1-10-5-2-6(4-8)11-7(9)3-5/h3,6,8H,2,4H2,1H3
InChIKeyQUJDFTSXJVDPHX-UHFFFAOYSA-N
MW158.15 g/mol
LogP-0.18
Rot. Bonds2

About 2-(hydroxymethyl)-4-methoxy-2,3-dihydropyran-6-one

2-(hydroxymethyl)-4-methoxy-2,3-dihydropyran-6-one (PubChem CID 56773906) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-methoxy-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-methoxy-2,3-dihydropyran-6-one
PubChem CID56773906
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name2-(hydroxymethyl)-4-methoxy-2,3-dihydropyran-6-one
SMILESCOC1=CC(=O)OC(CO)C1
InChIInChI=1S/C7H10O4/c1-10-5-2-6(4-8)11-7(9)3-5/h3,6,8H,2,4H2,1H3
InChIKeyQUJDFTSXJVDPHX-UHFFFAOYSA-N
XLogP-0.18
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4-methoxy-2,3-dihydropyran-6-one?
The IUPAC name of 2-(hydroxymethyl)-4-methoxy-2,3-dihydropyran-6-one (CID 56773906) is 2-(hydroxymethyl)-4-methoxy-2,3-dihydropyran-6-one.
What is the SMILES notation for 2-(hydroxymethyl)-4-methoxy-2,3-dihydropyran-6-one?
The canonical SMILES for 2-(hydroxymethyl)-4-methoxy-2,3-dihydropyran-6-one is COC1=CC(=O)OC(CO)C1.
What is the InChIKey of 2-(hydroxymethyl)-4-methoxy-2,3-dihydropyran-6-one?
The InChIKey is QUJDFTSXJVDPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c1-10-5-2-6(4-8)11-7(9)3-5/h3,6,8H,2,4H2,1H3.
What are the key properties of 2-(hydroxymethyl)-4-methoxy-2,3-dihydropyran-6-one?
2-(hydroxymethyl)-4-methoxy-2,3-dihydropyran-6-one has a molecular weight of 158.15 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4-methoxy-2,3-dihydropyran-6-one is sourced from PubChem (CID 56773906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).