[6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methanol

C12H14O5 — CID 63558987

IUPAC[6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methanol
SMILESOCc1cc2c(cc1OC1CCOC1)OCO2
InChIInChI=1S/C12H14O5/c13-5-8-3-11-12(16-7-15-11)4-10(8)17-9-1-2-14-6-9/h3-4,9,13H,1-2,5-7H2
InChIKeyPPOMAMUSCMTPRZ-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.08
Rot. Bonds3

About [6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methanol

[6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methanol (PubChem CID 63558987) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is [6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methanol.

Molecular Properties

Compound Name[6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methanol
PubChem CID63558987
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Name[6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methanol
SMILESOCc1cc2c(cc1OC1CCOC1)OCO2
InChIInChI=1S/C12H14O5/c13-5-8-3-11-12(16-7-15-11)4-10(8)17-9-1-2-14-6-9/h3-4,9,13H,1-2,5-7H2
InChIKeyPPOMAMUSCMTPRZ-UHFFFAOYSA-N
XLogP1.08
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methanol?
The IUPAC name of [6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methanol (CID 63558987) is [6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methanol.
What is the SMILES notation for [6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methanol?
The canonical SMILES for [6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methanol is OCc1cc2c(cc1OC1CCOC1)OCO2.
What is the InChIKey of [6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methanol?
The InChIKey is PPOMAMUSCMTPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O5/c13-5-8-3-11-12(16-7-15-11)4-10(8)17-9-1-2-14-6-9/h3-4,9,13H,1-2,5-7H2.
What are the key properties of [6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methanol?
[6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methanol has a molecular weight of 238.24 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methanol is sourced from PubChem (CID 63558987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).