1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanol

C10H12O3 — CID 3782314

IUPAC1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanol
SMILESCC(O)C1COc2ccccc2O1
InChIInChI=1S/C10H12O3/c1-7(11)10-6-12-8-4-2-3-5-9(8)13-10/h2-5,7,10-11H,6H2,1H3
InChIKeyBWBUOEGIFALLRE-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.21
Rot. Bonds1

About 1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanol

1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanol (PubChem CID 3782314) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanol.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanol
PubChem CID3782314
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanol
SMILESCC(O)C1COc2ccccc2O1
InChIInChI=1S/C10H12O3/c1-7(11)10-6-12-8-4-2-3-5-9(8)13-10/h2-5,7,10-11H,6H2,1H3
InChIKeyBWBUOEGIFALLRE-UHFFFAOYSA-N
XLogP1.21
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanol?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanol (CID 3782314) is 1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanol.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanol?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanol is CC(O)C1COc2ccccc2O1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanol?
The InChIKey is BWBUOEGIFALLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-7(11)10-6-12-8-4-2-3-5-9(8)13-10/h2-5,7,10-11H,6H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanol?
1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanol has a molecular weight of 180.20 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanol is sourced from PubChem (CID 3782314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).