(1S)-1-(oxiren-2-yl)propan-1-ol

C5H8O2 — CID 70404951

IUPAC(1S)-1-(oxiren-2-yl)propan-1-ol
SMILESCC[C@H](O)C1=CO1
InChIInChI=1S/C5H8O2/c1-2-4(6)5-3-7-5/h3-4,6H,2H2,1H3/t4-/m0/s1
InChIKeyFMDXXVHQWHFEMR-BYPYZUCNSA-N
MW100.12 g/mol
LogP0.63
Rot. Bonds2

About (1S)-1-(oxiren-2-yl)propan-1-ol

(1S)-1-(oxiren-2-yl)propan-1-ol (PubChem CID 70404951) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is (1S)-1-(oxiren-2-yl)propan-1-ol.

Molecular Properties

Compound Name(1S)-1-(oxiren-2-yl)propan-1-ol
PubChem CID70404951
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name(1S)-1-(oxiren-2-yl)propan-1-ol
SMILESCC[C@H](O)C1=CO1
InChIInChI=1S/C5H8O2/c1-2-4(6)5-3-7-5/h3-4,6H,2H2,1H3/t4-/m0/s1
InChIKeyFMDXXVHQWHFEMR-BYPYZUCNSA-N
XLogP0.63
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(oxiren-2-yl)propan-1-ol?
The IUPAC name of (1S)-1-(oxiren-2-yl)propan-1-ol (CID 70404951) is (1S)-1-(oxiren-2-yl)propan-1-ol.
What is the SMILES notation for (1S)-1-(oxiren-2-yl)propan-1-ol?
The canonical SMILES for (1S)-1-(oxiren-2-yl)propan-1-ol is CC[C@H](O)C1=CO1.
What is the InChIKey of (1S)-1-(oxiren-2-yl)propan-1-ol?
The InChIKey is FMDXXVHQWHFEMR-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H8O2/c1-2-4(6)5-3-7-5/h3-4,6H,2H2,1H3/t4-/m0/s1.
What are the key properties of (1S)-1-(oxiren-2-yl)propan-1-ol?
(1S)-1-(oxiren-2-yl)propan-1-ol has a molecular weight of 100.12 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(oxiren-2-yl)propan-1-ol is sourced from PubChem (CID 70404951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).