5-(1-methoxypropyl)-1,3-benzodioxole

C11H14O3 — CID 3496171

IUPAC5-(1-methoxypropyl)-1,3-benzodioxole
SMILESCCC(OC)c1ccc2c(c1)OCO2
InChIInChI=1S/C11H14O3/c1-3-9(12-2)8-4-5-10-11(6-8)14-7-13-10/h4-6,9H,3,7H2,1-2H3
InChIKeyPBFANQACQQLPPK-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.51
Rot. Bonds3

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

5-(1-methoxypropyl)-1,3-benzodioxole (PubChem CID 3496171) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 5-(1-methoxypropyl)-1,3-benzodioxole.

Molecular Properties

Compound Name5-(1-methoxypropyl)-1,3-benzodioxole
PubChem CID3496171
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name5-(1-methoxypropyl)-1,3-benzodioxole
SMILESCCC(OC)c1ccc2c(c1)OCO2
InChIInChI=1S/C11H14O3/c1-3-9(12-2)8-4-5-10-11(6-8)14-7-13-10/h4-6,9H,3,7H2,1-2H3
InChIKeyPBFANQACQQLPPK-UHFFFAOYSA-N
XLogP2.51
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(1-methoxypropyl)-1,3-benzodioxole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Piperonyl Butoxide
CID 5794
Safrole
CID 5144
Methyleugenol
CID 7127
Stiripentol
CID 5311454
Isosafrole
CID 637796
Myristicin
CID 4276
Methoxyhydroxyphenylglycol
CID 10805
Piperonyl acetate
CID 9473
Piperonylidene acetone
CID 6040503
Apiole
CID 10659
Kava Kava
CID 5899068
3-(3,4-Methylenedioxyphenyl)-2-methylpropanal
CID 64805

Frequently Asked Questions

What is the IUPAC name of 5-(1-methoxypropyl)-1,3-benzodioxole?
The IUPAC name of 5-(1-methoxypropyl)-1,3-benzodioxole (CID 3496171) is 5-(1-methoxypropyl)-1,3-benzodioxole.
What is the SMILES notation for 5-(1-methoxypropyl)-1,3-benzodioxole?
The canonical SMILES for 5-(1-methoxypropyl)-1,3-benzodioxole is CCC(OC)c1ccc2c(c1)OCO2.
What is the InChIKey of 5-(1-methoxypropyl)-1,3-benzodioxole?
The InChIKey is PBFANQACQQLPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-3-9(12-2)8-4-5-10-11(6-8)14-7-13-10/h4-6,9H,3,7H2,1-2H3.
What are the key properties of 5-(1-methoxypropyl)-1,3-benzodioxole?
5-(1-methoxypropyl)-1,3-benzodioxole has a molecular weight of 194.23 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methoxypropyl)-1,3-benzodioxole is sourced from PubChem (CID 3496171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).