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

C7H10O4 — CID 24823870

IUPAC(2R)-2-(hydroxymethyl)-4-methoxy-2,3-dihydropyran-6-one
SMILESCOC1=CC(=O)O[C@@H](CO)C1
InChIInChI=1S/C7H10O4/c1-10-5-2-6(4-8)11-7(9)3-5/h3,6,8H,2,4H2,1H3/t6-/m1/s1
InChIKeyQUJDFTSXJVDPHX-ZCFIWIBFSA-N
MW158.15 g/mol
LogP-0.18
Rot. Bonds2

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

(2R)-2-(hydroxymethyl)-4-methoxy-2,3-dihydropyran-6-one (PubChem CID 24823870) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is (2R)-2-(hydroxymethyl)-4-methoxy-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-2-(hydroxymethyl)-4-methoxy-2,3-dihydropyran-6-one
PubChem CID24823870
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name(2R)-2-(hydroxymethyl)-4-methoxy-2,3-dihydropyran-6-one
SMILESCOC1=CC(=O)O[C@@H](CO)C1
InChIInChI=1S/C7H10O4/c1-10-5-2-6(4-8)11-7(9)3-5/h3,6,8H,2,4H2,1H3/t6-/m1/s1
InChIKeyQUJDFTSXJVDPHX-ZCFIWIBFSA-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 (2R)-2-(hydroxymethyl)-4-methoxy-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-2-(hydroxymethyl)-4-methoxy-2,3-dihydropyran-6-one (CID 24823870) is (2R)-2-(hydroxymethyl)-4-methoxy-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-2-(hydroxymethyl)-4-methoxy-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-2-(hydroxymethyl)-4-methoxy-2,3-dihydropyran-6-one is COC1=CC(=O)O[C@@H](CO)C1.
What is the InChIKey of (2R)-2-(hydroxymethyl)-4-methoxy-2,3-dihydropyran-6-one?
The InChIKey is QUJDFTSXJVDPHX-ZCFIWIBFSA-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/t6-/m1/s1.
What are the key properties of (2R)-2-(hydroxymethyl)-4-methoxy-2,3-dihydropyran-6-one?
(2R)-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 (2R)-2-(hydroxymethyl)-4-methoxy-2,3-dihydropyran-6-one is sourced from PubChem (CID 24823870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).