5-(ethoxymethyl)-1,3-benzodioxole

C10H12O3 — CID 10352277

IUPAC5-(ethoxymethyl)-1,3-benzodioxole
SMILESCCOCc1ccc2c(c1)OCO2
InChIInChI=1S/C10H12O3/c1-2-11-6-8-3-4-9-10(5-8)13-7-12-9/h3-5H,2,6-7H2,1H3
InChIKeyINKUOAYIYPIBQI-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.95
Rot. Bonds3

About 5-(ethoxymethyl)-1,3-benzodioxole

5-(ethoxymethyl)-1,3-benzodioxole (PubChem CID 10352277) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 5-(ethoxymethyl)-1,3-benzodioxole.

Molecular Properties

Compound Name5-(ethoxymethyl)-1,3-benzodioxole
PubChem CID10352277
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name5-(ethoxymethyl)-1,3-benzodioxole
SMILESCCOCc1ccc2c(c1)OCO2
InChIInChI=1S/C10H12O3/c1-2-11-6-8-3-4-9-10(5-8)13-7-12-9/h3-5H,2,6-7H2,1H3
InChIKeyINKUOAYIYPIBQI-UHFFFAOYSA-N
XLogP1.95
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)-1,3-benzodioxole?
The IUPAC name of 5-(ethoxymethyl)-1,3-benzodioxole (CID 10352277) is 5-(ethoxymethyl)-1,3-benzodioxole.
What is the SMILES notation for 5-(ethoxymethyl)-1,3-benzodioxole?
The canonical SMILES for 5-(ethoxymethyl)-1,3-benzodioxole is CCOCc1ccc2c(c1)OCO2.
What is the InChIKey of 5-(ethoxymethyl)-1,3-benzodioxole?
The InChIKey is INKUOAYIYPIBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-2-11-6-8-3-4-9-10(5-8)13-7-12-9/h3-5H,2,6-7H2,1H3.
What are the key properties of 5-(ethoxymethyl)-1,3-benzodioxole?
5-(ethoxymethyl)-1,3-benzodioxole has a molecular weight of 180.20 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)-1,3-benzodioxole is sourced from PubChem (CID 10352277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).