(2S,3S)-3-benzyloxolan-2-ol

C11H14O2 — CID 86339403

IUPAC(2S,3S)-3-benzyloxolan-2-ol
SMILESO[C@H]1OCC[C@@H]1Cc1ccccc1
InChIInChI=1S/C11H14O2/c12-11-10(6-7-13-11)8-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2/t10-,11+/m1/s1
InChIKeyDEIMECHUASAHLK-MNOVXSKESA-N
MW178.23 g/mol
LogP1.58
Rot. Bonds2

About (2S,3S)-3-benzyloxolan-2-ol

(2S,3S)-3-benzyloxolan-2-ol (PubChem CID 86339403) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (2S,3S)-3-benzyloxolan-2-ol.

Molecular Properties

Compound Name(2S,3S)-3-benzyloxolan-2-ol
PubChem CID86339403
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(2S,3S)-3-benzyloxolan-2-ol
SMILESO[C@H]1OCC[C@@H]1Cc1ccccc1
InChIInChI=1S/C11H14O2/c12-11-10(6-7-13-11)8-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2/t10-,11+/m1/s1
InChIKeyDEIMECHUASAHLK-MNOVXSKESA-N
XLogP1.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-benzyloxolan-2-ol?
The IUPAC name of (2S,3S)-3-benzyloxolan-2-ol (CID 86339403) is (2S,3S)-3-benzyloxolan-2-ol.
What is the SMILES notation for (2S,3S)-3-benzyloxolan-2-ol?
The canonical SMILES for (2S,3S)-3-benzyloxolan-2-ol is O[C@H]1OCC[C@@H]1Cc1ccccc1.
What is the InChIKey of (2S,3S)-3-benzyloxolan-2-ol?
The InChIKey is DEIMECHUASAHLK-MNOVXSKESA-N. The full InChI is InChI=1S/C11H14O2/c12-11-10(6-7-13-11)8-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2/t10-,11+/m1/s1.
What are the key properties of (2S,3S)-3-benzyloxolan-2-ol?
(2S,3S)-3-benzyloxolan-2-ol has a molecular weight of 178.23 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-benzyloxolan-2-ol is sourced from PubChem (CID 86339403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).