4-chloro-2H-pyran-2-ol

C5H5ClO2 — CID 150900963

IUPAC4-chloro-2H-pyran-2-ol
SMILESOC1C=C(Cl)C=CO1
InChIInChI=1S/C5H5ClO2/c6-4-1-2-8-5(7)3-4/h1-3,5,7H
InChIKeyKZZNUFMPGOXLBG-UHFFFAOYSA-N
MW132.55 g/mol
LogP0.97
Rot. Bonds

About 4-chloro-2H-pyran-2-ol

4-chloro-2H-pyran-2-ol (PubChem CID 150900963) has the molecular formula C5H5ClO2 and a molecular weight of 132.55 g/mol. Its IUPAC name is 4-chloro-2H-pyran-2-ol.

Molecular Properties

Compound Name4-chloro-2H-pyran-2-ol
PubChem CID150900963
Molecular FormulaC5H5ClO2
Molecular Weight132.55 g/mol
Exact Mass132.00
IUPAC Name4-chloro-2H-pyran-2-ol
SMILESOC1C=C(Cl)C=CO1
InChIInChI=1S/C5H5ClO2/c6-4-1-2-8-5(7)3-4/h1-3,5,7H
InChIKeyKZZNUFMPGOXLBG-UHFFFAOYSA-N
XLogP0.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.55
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2H-pyran-2-ol?
The IUPAC name of 4-chloro-2H-pyran-2-ol (CID 150900963) is 4-chloro-2H-pyran-2-ol.
What is the SMILES notation for 4-chloro-2H-pyran-2-ol?
The canonical SMILES for 4-chloro-2H-pyran-2-ol is OC1C=C(Cl)C=CO1.
What is the InChIKey of 4-chloro-2H-pyran-2-ol?
The InChIKey is KZZNUFMPGOXLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClO2/c6-4-1-2-8-5(7)3-4/h1-3,5,7H.
What are the key properties of 4-chloro-2H-pyran-2-ol?
4-chloro-2H-pyran-2-ol has a molecular weight of 132.55 g/mol, XLogP of 0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2H-pyran-2-ol is sourced from PubChem (CID 150900963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).