3-(furan-3-yl)-2-methyloxolan-3-ol

C9H12O3 — CID 82719090

IUPAC3-(furan-3-yl)-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)c1ccoc1
InChIInChI=1S/C9H12O3/c1-7-9(10,3-5-12-7)8-2-4-11-6-8/h2,4,6-7,10H,3,5H2,1H3
InChIKeyGLTNUMNPBWCLMO-UHFFFAOYSA-N
MW168.19 g/mol
LogP1.28
Rot. Bonds1

About 3-(furan-3-yl)-2-methyloxolan-3-ol

3-(furan-3-yl)-2-methyloxolan-3-ol (PubChem CID 82719090) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 3-(furan-3-yl)-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-(furan-3-yl)-2-methyloxolan-3-ol
PubChem CID82719090
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name3-(furan-3-yl)-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)c1ccoc1
InChIInChI=1S/C9H12O3/c1-7-9(10,3-5-12-7)8-2-4-11-6-8/h2,4,6-7,10H,3,5H2,1H3
InChIKeyGLTNUMNPBWCLMO-UHFFFAOYSA-N
XLogP1.28
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-2-methyloxolan-3-ol?
The IUPAC name of 3-(furan-3-yl)-2-methyloxolan-3-ol (CID 82719090) is 3-(furan-3-yl)-2-methyloxolan-3-ol.
What is the SMILES notation for 3-(furan-3-yl)-2-methyloxolan-3-ol?
The canonical SMILES for 3-(furan-3-yl)-2-methyloxolan-3-ol is CC1OCCC1(O)c1ccoc1.
What is the InChIKey of 3-(furan-3-yl)-2-methyloxolan-3-ol?
The InChIKey is GLTNUMNPBWCLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c1-7-9(10,3-5-12-7)8-2-4-11-6-8/h2,4,6-7,10H,3,5H2,1H3.
What are the key properties of 3-(furan-3-yl)-2-methyloxolan-3-ol?
3-(furan-3-yl)-2-methyloxolan-3-ol has a molecular weight of 168.19 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-2-methyloxolan-3-ol is sourced from PubChem (CID 82719090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).