5-(propoxymethyl)-1,3-benzodioxole

C11H14O3 — CID 10262036

IUPAC5-(propoxymethyl)-1,3-benzodioxole
SMILESCCCOCc1ccc2c(c1)OCO2
InChIInChI=1S/C11H14O3/c1-2-5-12-7-9-3-4-10-11(6-9)14-8-13-10/h3-4,6H,2,5,7-8H2,1H3
InChIKeyUOERABCMIUSRNK-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.34
Rot. Bonds4

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

5-(propoxymethyl)-1,3-benzodioxole (PubChem CID 10262036) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 5-(propoxymethyl)-1,3-benzodioxole.

Molecular Properties

Compound Name5-(propoxymethyl)-1,3-benzodioxole
PubChem CID10262036
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name5-(propoxymethyl)-1,3-benzodioxole
SMILESCCCOCc1ccc2c(c1)OCO2
InChIInChI=1S/C11H14O3/c1-2-5-12-7-9-3-4-10-11(6-9)14-8-13-10/h3-4,6H,2,5,7-8H2,1H3
InChIKeyUOERABCMIUSRNK-UHFFFAOYSA-N
XLogP2.34
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(1,3-benzodioxol-5-ylmethoxy)-N-ethylpropan-1-amine
CID 62445902
5-[2-(trideuteriomethoxy)ethoxymethyl]-1,3-benzodioxole
CID 171395116
5-(1,3-benzodioxol-5-ylmethoxy)-N-propylpentan-1-amine
CID 62445733
5-(methoxymethoxymethyl)-1,3-benzodioxole
CID 20689919
5-(1,3-benzodioxol-5-ylmethoxy)pentan-1-amine
CID 54966297
5-(2-methoxyethoxymethoxymethyl)-1,3-benzodioxole
CID 13257944
5-(6-propan-2-yloxyhexoxymethyl)-1,3-benzodioxole
CID 163959918
1-(1,3-benzodioxol-5-ylmethoxy)pentan-2-one
CID 62043610
5-(2-ethoxyethyl)-1,3-benzodioxole
CID 122402641
N-[3-(1,3-benzodioxol-5-ylmethoxy)propyl]cyclopropanamine
CID 62445720
5-[2-(bromomethyl)pentoxymethyl]-1,3-benzodioxole
CID 65011161
O-(1,3-benzodioxol-5-ylmethyl)hydroxylamine
CID 22419624

Frequently Asked Questions

What is the IUPAC name of 5-(propoxymethyl)-1,3-benzodioxole?
The IUPAC name of 5-(propoxymethyl)-1,3-benzodioxole (CID 10262036) is 5-(propoxymethyl)-1,3-benzodioxole.
What is the SMILES notation for 5-(propoxymethyl)-1,3-benzodioxole?
The canonical SMILES for 5-(propoxymethyl)-1,3-benzodioxole is CCCOCc1ccc2c(c1)OCO2.
What is the InChIKey of 5-(propoxymethyl)-1,3-benzodioxole?
The InChIKey is UOERABCMIUSRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-2-5-12-7-9-3-4-10-11(6-9)14-8-13-10/h3-4,6H,2,5,7-8H2,1H3.
What are the key properties of 5-(propoxymethyl)-1,3-benzodioxole?
5-(propoxymethyl)-1,3-benzodioxole has a molecular weight of 194.23 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propoxymethyl)-1,3-benzodioxole is sourced from PubChem (CID 10262036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).