5-(methoxymethyl)-1,3-benzodioxole

C9H10O3 — CID 10103507

IUPAC5-(methoxymethyl)-1,3-benzodioxole
SMILESCOCc1ccc2c(c1)OCO2
InChIInChI=1S/C9H10O3/c1-10-5-7-2-3-8-9(4-7)12-6-11-8/h2-4H,5-6H2,1H3
InChIKeyWXPQEUKGNZMURA-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.56
Rot. Bonds2

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

5-(methoxymethyl)-1,3-benzodioxole (PubChem CID 10103507) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 5-(methoxymethyl)-1,3-benzodioxole.

Molecular Properties

Compound Name5-(methoxymethyl)-1,3-benzodioxole
PubChem CID10103507
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name5-(methoxymethyl)-1,3-benzodioxole
SMILESCOCc1ccc2c(c1)OCO2
InChIInChI=1S/C9H10O3/c1-10-5-7-2-3-8-9(4-7)12-6-11-8/h2-4H,5-6H2,1H3
InChIKeyWXPQEUKGNZMURA-UHFFFAOYSA-N
XLogP1.56
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-1,3-benzodioxole?
The IUPAC name of 5-(methoxymethyl)-1,3-benzodioxole (CID 10103507) is 5-(methoxymethyl)-1,3-benzodioxole.
What is the SMILES notation for 5-(methoxymethyl)-1,3-benzodioxole?
The canonical SMILES for 5-(methoxymethyl)-1,3-benzodioxole is COCc1ccc2c(c1)OCO2.
What is the InChIKey of 5-(methoxymethyl)-1,3-benzodioxole?
The InChIKey is WXPQEUKGNZMURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c1-10-5-7-2-3-8-9(4-7)12-6-11-8/h2-4H,5-6H2,1H3.
What are the key properties of 5-(methoxymethyl)-1,3-benzodioxole?
5-(methoxymethyl)-1,3-benzodioxole has a molecular weight of 166.18 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-1,3-benzodioxole is sourced from PubChem (CID 10103507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).