2-[[(2S)-2H-pyran-2-yl]oxy]propan-1-ol

C8H12O3 — CID 69475130

IUPAC2-[[(2S)-2H-pyran-2-yl]oxy]propan-1-ol
SMILESCC(CO)O[C@H]1C=CC=CO1
InChIInChI=1S/C8H12O3/c1-7(6-9)11-8-4-2-3-5-10-8/h2-5,7-9H,6H2,1H3/t7?,8-/m0/s1
InChIKeySZZGCEOTDKAYOD-MQWKRIRWSA-N
MW156.18 g/mol
LogP0.81
Rot. Bonds3

About 2-[[(2S)-2H-pyran-2-yl]oxy]propan-1-ol

2-[[(2S)-2H-pyran-2-yl]oxy]propan-1-ol (PubChem CID 69475130) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-[[(2S)-2H-pyran-2-yl]oxy]propan-1-ol.

Molecular Properties

Compound Name2-[[(2S)-2H-pyran-2-yl]oxy]propan-1-ol
PubChem CID69475130
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name2-[[(2S)-2H-pyran-2-yl]oxy]propan-1-ol
SMILESCC(CO)O[C@H]1C=CC=CO1
InChIInChI=1S/C8H12O3/c1-7(6-9)11-8-4-2-3-5-10-8/h2-5,7-9H,6H2,1H3/t7?,8-/m0/s1
InChIKeySZZGCEOTDKAYOD-MQWKRIRWSA-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-[[(2S)-2H-pyran-2-yl]oxy]propan-1-ol?
The IUPAC name of 2-[[(2S)-2H-pyran-2-yl]oxy]propan-1-ol (CID 69475130) is 2-[[(2S)-2H-pyran-2-yl]oxy]propan-1-ol.
What is the SMILES notation for 2-[[(2S)-2H-pyran-2-yl]oxy]propan-1-ol?
The canonical SMILES for 2-[[(2S)-2H-pyran-2-yl]oxy]propan-1-ol is CC(CO)O[C@H]1C=CC=CO1.
What is the InChIKey of 2-[[(2S)-2H-pyran-2-yl]oxy]propan-1-ol?
The InChIKey is SZZGCEOTDKAYOD-MQWKRIRWSA-N. The full InChI is InChI=1S/C8H12O3/c1-7(6-9)11-8-4-2-3-5-10-8/h2-5,7-9H,6H2,1H3/t7?,8-/m0/s1.
What are the key properties of 2-[[(2S)-2H-pyran-2-yl]oxy]propan-1-ol?
2-[[(2S)-2H-pyran-2-yl]oxy]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-[[(2S)-2H-pyran-2-yl]oxy]propan-1-ol is sourced from PubChem (CID 69475130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).