2-(2H-pyran-6-yloxy)propan-1-ol

C8H12O3 — CID 54185501

IUPAC2-(2H-pyran-6-yloxy)propan-1-ol
SMILESCC(CO)OC1=CC=CCO1
InChIInChI=1S/C8H12O3/c1-7(6-9)11-8-4-2-3-5-10-8/h2-4,7,9H,5-6H2,1H3
InChIKeyPEURUSBNGJKUJI-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.81
Rot. Bonds3

About 2-(2H-pyran-6-yloxy)propan-1-ol

2-(2H-pyran-6-yloxy)propan-1-ol (PubChem CID 54185501) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-(2H-pyran-6-yloxy)propan-1-ol.

Molecular Properties

Compound Name2-(2H-pyran-6-yloxy)propan-1-ol
PubChem CID54185501
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name2-(2H-pyran-6-yloxy)propan-1-ol
SMILESCC(CO)OC1=CC=CCO1
InChIInChI=1S/C8H12O3/c1-7(6-9)11-8-4-2-3-5-10-8/h2-4,7,9H,5-6H2,1H3
InChIKeyPEURUSBNGJKUJI-UHFFFAOYSA-N
XLogP0.81
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 ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-pyran-6-yloxy)propan-1-ol?
The IUPAC name of 2-(2H-pyran-6-yloxy)propan-1-ol (CID 54185501) is 2-(2H-pyran-6-yloxy)propan-1-ol.
What is the SMILES notation for 2-(2H-pyran-6-yloxy)propan-1-ol?
The canonical SMILES for 2-(2H-pyran-6-yloxy)propan-1-ol is CC(CO)OC1=CC=CCO1.
What is the InChIKey of 2-(2H-pyran-6-yloxy)propan-1-ol?
The InChIKey is PEURUSBNGJKUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-7(6-9)11-8-4-2-3-5-10-8/h2-4,7,9H,5-6H2,1H3.
What are the key properties of 2-(2H-pyran-6-yloxy)propan-1-ol?
2-(2H-pyran-6-yloxy)propan-1-ol has a molecular weight of 156.18 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-pyran-6-yloxy)propan-1-ol is sourced from PubChem (CID 54185501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).