3-benzyloxolan-3-ol

C11H14O2 — CID 63332039

IUPAC3-benzyloxolan-3-ol
SMILESOC1(Cc2ccccc2)CCOC1
InChIInChI=1S/C11H14O2/c12-11(6-7-13-9-11)8-10-4-2-1-3-5-10/h1-5,12H,6-9H2
InChIKeyCWRPWMAOPSGTQU-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.38
Rot. Bonds2

About 3-benzyloxolan-3-ol

3-benzyloxolan-3-ol (PubChem CID 63332039) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 3-benzyloxolan-3-ol.

Molecular Properties

Compound Name3-benzyloxolan-3-ol
PubChem CID63332039
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name3-benzyloxolan-3-ol
SMILESOC1(Cc2ccccc2)CCOC1
InChIInChI=1S/C11H14O2/c12-11(6-7-13-9-11)8-10-4-2-1-3-5-10/h1-5,12H,6-9H2
InChIKeyCWRPWMAOPSGTQU-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 3-benzyloxolan-3-ol?
The IUPAC name of 3-benzyloxolan-3-ol (CID 63332039) is 3-benzyloxolan-3-ol.
What is the SMILES notation for 3-benzyloxolan-3-ol?
The canonical SMILES for 3-benzyloxolan-3-ol is OC1(Cc2ccccc2)CCOC1.
What is the InChIKey of 3-benzyloxolan-3-ol?
The InChIKey is CWRPWMAOPSGTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c12-11(6-7-13-9-11)8-10-4-2-1-3-5-10/h1-5,12H,6-9H2.
What are the key properties of 3-benzyloxolan-3-ol?
3-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 3-benzyloxolan-3-ol is sourced from PubChem (CID 63332039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).