2-propoxy-2H-pyran-3-ol

C8H12O3 — CID 141151007

IUPAC2-propoxy-2H-pyran-3-ol
SMILESCCCOC1OC=CC=C1O
InChIInChI=1S/C8H12O3/c1-2-5-10-8-7(9)4-3-6-11-8/h3-4,6,8-9H,2,5H2,1H3
InChIKeyQATTYSSWDJMPNY-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.72
Rot. Bonds3

About 2-propoxy-2H-pyran-3-ol

2-propoxy-2H-pyran-3-ol (PubChem CID 141151007) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-propoxy-2H-pyran-3-ol.

Molecular Properties

Compound Name2-propoxy-2H-pyran-3-ol
PubChem CID141151007
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name2-propoxy-2H-pyran-3-ol
SMILESCCCOC1OC=CC=C1O
InChIInChI=1S/C8H12O3/c1-2-5-10-8-7(9)4-3-6-11-8/h3-4,6,8-9H,2,5H2,1H3
InChIKeyQATTYSSWDJMPNY-UHFFFAOYSA-N
XLogP1.72
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propoxy-2H-pyran-3-ol?
The IUPAC name of 2-propoxy-2H-pyran-3-ol (CID 141151007) is 2-propoxy-2H-pyran-3-ol.
What is the SMILES notation for 2-propoxy-2H-pyran-3-ol?
The canonical SMILES for 2-propoxy-2H-pyran-3-ol is CCCOC1OC=CC=C1O.
What is the InChIKey of 2-propoxy-2H-pyran-3-ol?
The InChIKey is QATTYSSWDJMPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-2-5-10-8-7(9)4-3-6-11-8/h3-4,6,8-9H,2,5H2,1H3.
What are the key properties of 2-propoxy-2H-pyran-3-ol?
2-propoxy-2H-pyran-3-ol has a molecular weight of 156.18 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-2H-pyran-3-ol is sourced from PubChem (CID 141151007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).