2,4-dimethoxy-2H-pyran-3-ol

C7H10O4 — CID 69385760

IUPAC2,4-dimethoxy-2H-pyran-3-ol
SMILESCOC1=C(O)C(OC)OC=C1
InChIInChI=1S/C7H10O4/c1-9-5-3-4-11-7(10-2)6(5)8/h3-4,7-8H,1-2H3
InChIKeyJCGXAECTJLEQHY-UHFFFAOYSA-N
MW158.15 g/mol
LogP0.92
Rot. Bonds2

About 2,4-dimethoxy-2H-pyran-3-ol

2,4-dimethoxy-2H-pyran-3-ol (PubChem CID 69385760) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is 2,4-dimethoxy-2H-pyran-3-ol.

Molecular Properties

Compound Name2,4-dimethoxy-2H-pyran-3-ol
PubChem CID69385760
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name2,4-dimethoxy-2H-pyran-3-ol
SMILESCOC1=C(O)C(OC)OC=C1
InChIInChI=1S/C7H10O4/c1-9-5-3-4-11-7(10-2)6(5)8/h3-4,7-8H,1-2H3
InChIKeyJCGXAECTJLEQHY-UHFFFAOYSA-N
XLogP0.92
TPSA47.92 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 ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,4-dimethoxy-2H-pyran-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyran-2,2,3,4-tetrol
CID 21181997
4-methoxy-2H-pyran-2,3-diol
CID 57055822
2-Pyranyloxy ethanol
CID 66776924
2-[(5,6-dihydroxy-4-methoxy-2H-pyran-2-yl)oxy]-4-methoxy-2H-pyran-5,6-diol
CID 67084747
2,2-Dimethoxypyran-3-ol
CID 69385758
2-ethoxy-2H-pyran-3,4-diol
CID 70378262
6-[(3,4-dihydroxy-2H-pyran-2-yl)oxy]-2H-pyran-4,5-diol
CID 70378264
2-[(3,4-dihydroxy-2H-pyran-2-yl)oxy]-2H-pyran-3,4-diol
CID 70378269
2-(Dimethoxymethyl)-6-methylidenepyran-4-ol
CID 89230068
2H-pyran-2,3,4-triol
CID 90241131
2,3,4,5-tetramethoxy-2H-pyran
CID 139894104
2-methoxy-2H-pyran-3-ol
CID 141151006

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-2H-pyran-3-ol?
The IUPAC name of 2,4-dimethoxy-2H-pyran-3-ol (CID 69385760) is 2,4-dimethoxy-2H-pyran-3-ol.
What is the SMILES notation for 2,4-dimethoxy-2H-pyran-3-ol?
The canonical SMILES for 2,4-dimethoxy-2H-pyran-3-ol is COC1=C(O)C(OC)OC=C1.
What is the InChIKey of 2,4-dimethoxy-2H-pyran-3-ol?
The InChIKey is JCGXAECTJLEQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c1-9-5-3-4-11-7(10-2)6(5)8/h3-4,7-8H,1-2H3.
What are the key properties of 2,4-dimethoxy-2H-pyran-3-ol?
2,4-dimethoxy-2H-pyran-3-ol has a molecular weight of 158.15 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-2H-pyran-3-ol is sourced from PubChem (CID 69385760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).