1-(2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl)ethanol

C10H14O3 — CID 141300726

IUPAC1-(2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl)ethanol
SMILESCC(O)C1C=CC2=C(C1)OCCO2
InChIInChI=1S/C10H14O3/c1-7(11)8-2-3-9-10(6-8)13-5-4-12-9/h2-3,7-8,11H,4-6H2,1H3
InChIKeyIDBIMPBOYGVPNY-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.20
Rot. Bonds1

About 1-(2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl)ethanol

1-(2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl)ethanol (PubChem CID 141300726) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-(2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl)ethanol.

Molecular Properties

Compound Name1-(2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl)ethanol
PubChem CID141300726
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name1-(2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl)ethanol
SMILESCC(O)C1C=CC2=C(C1)OCCO2
InChIInChI=1S/C10H14O3/c1-7(11)8-2-3-9-10(6-8)13-5-4-12-9/h2-3,7-8,11H,4-6H2,1H3
InChIKeyIDBIMPBOYGVPNY-UHFFFAOYSA-N
XLogP1.20
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl)ethanol?
The IUPAC name of 1-(2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl)ethanol (CID 141300726) is 1-(2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl)ethanol.
What is the SMILES notation for 1-(2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl)ethanol?
The canonical SMILES for 1-(2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl)ethanol is CC(O)C1C=CC2=C(C1)OCCO2.
What is the InChIKey of 1-(2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl)ethanol?
The InChIKey is IDBIMPBOYGVPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-7(11)8-2-3-9-10(6-8)13-5-4-12-9/h2-3,7-8,11H,4-6H2,1H3.
What are the key properties of 1-(2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl)ethanol?
1-(2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl)ethanol has a molecular weight of 182.22 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl)ethanol is sourced from PubChem (CID 141300726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).