3,6-dichloro-2H-pyran-4-ol

C5H4Cl2O2 — CID 175979955

IUPAC3,6-dichloro-2H-pyran-4-ol
SMILESOC1=C(Cl)COC(Cl)=C1
InChIInChI=1S/C5H4Cl2O2/c6-3-2-9-5(7)1-4(3)8/h1,8H,2H2
InChIKeyJEPHTFTWWPOFLK-UHFFFAOYSA-N
MW166.99 g/mol
LogP2.11
Rot. Bonds

About 3,6-dichloro-2H-pyran-4-ol

3,6-dichloro-2H-pyran-4-ol (PubChem CID 175979955) has the molecular formula C5H4Cl2O2 and a molecular weight of 166.99 g/mol. Its IUPAC name is 3,6-dichloro-2H-pyran-4-ol.

Molecular Properties

Compound Name3,6-dichloro-2H-pyran-4-ol
PubChem CID175979955
Molecular FormulaC5H4Cl2O2
Molecular Weight166.99 g/mol
Exact Mass165.96
IUPAC Name3,6-dichloro-2H-pyran-4-ol
SMILESOC1=C(Cl)COC(Cl)=C1
InChIInChI=1S/C5H4Cl2O2/c6-3-2-9-5(7)1-4(3)8/h1,8H,2H2
InChIKeyJEPHTFTWWPOFLK-UHFFFAOYSA-N
XLogP2.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.99
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-2H-pyran-4-ol?
The IUPAC name of 3,6-dichloro-2H-pyran-4-ol (CID 175979955) is 3,6-dichloro-2H-pyran-4-ol.
What is the SMILES notation for 3,6-dichloro-2H-pyran-4-ol?
The canonical SMILES for 3,6-dichloro-2H-pyran-4-ol is OC1=C(Cl)COC(Cl)=C1.
What is the InChIKey of 3,6-dichloro-2H-pyran-4-ol?
The InChIKey is JEPHTFTWWPOFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl2O2/c6-3-2-9-5(7)1-4(3)8/h1,8H,2H2.
What are the key properties of 3,6-dichloro-2H-pyran-4-ol?
3,6-dichloro-2H-pyran-4-ol has a molecular weight of 166.99 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-2H-pyran-4-ol is sourced from PubChem (CID 175979955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).