2-benzyloxolan-3-ol

C11H14O2 — CID 85320772

IUPAC2-benzyloxolan-3-ol
SMILESOC1CCOC1Cc1ccccc1
InChIInChI=1S/C11H14O2/c12-10-6-7-13-11(10)8-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2
InChIKeyYJXMOZYTZIZNQG-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.38
Rot. Bonds2

About 2-benzyloxolan-3-ol

2-benzyloxolan-3-ol (PubChem CID 85320772) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-benzyloxolan-3-ol.

Molecular Properties

Compound Name2-benzyloxolan-3-ol
PubChem CID85320772
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2-benzyloxolan-3-ol
SMILESOC1CCOC1Cc1ccccc1
InChIInChI=1S/C11H14O2/c12-10-6-7-13-11(10)8-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2
InChIKeyYJXMOZYTZIZNQG-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyloxolan-3-ol?
The IUPAC name of 2-benzyloxolan-3-ol (CID 85320772) is 2-benzyloxolan-3-ol.
What is the SMILES notation for 2-benzyloxolan-3-ol?
The canonical SMILES for 2-benzyloxolan-3-ol is OC1CCOC1Cc1ccccc1.
What is the InChIKey of 2-benzyloxolan-3-ol?
The InChIKey is YJXMOZYTZIZNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c12-10-6-7-13-11(10)8-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2.
What are the key properties of 2-benzyloxolan-3-ol?
2-benzyloxolan-3-ol has a molecular weight of 178.23 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyloxolan-3-ol is sourced from PubChem (CID 85320772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).