4-methoxy-7-propyl-1,3-benzodioxole

C11H14O3 — CID 14601156

IUPAC4-methoxy-7-propyl-1,3-benzodioxole
SMILESCCCc1ccc(OC)c2c1OCO2
InChIInChI=1S/C11H14O3/c1-3-4-8-5-6-9(12-2)11-10(8)13-7-14-11/h5-6H,3-4,7H2,1-2H3
InChIKeyHRUCCQNONJBVKQ-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.38
Rot. Bonds3

About 4-methoxy-7-propyl-1,3-benzodioxole

4-methoxy-7-propyl-1,3-benzodioxole (PubChem CID 14601156) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-methoxy-7-propyl-1,3-benzodioxole.

Molecular Properties

Compound Name4-methoxy-7-propyl-1,3-benzodioxole
PubChem CID14601156
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name4-methoxy-7-propyl-1,3-benzodioxole
SMILESCCCc1ccc(OC)c2c1OCO2
InChIInChI=1S/C11H14O3/c1-3-4-8-5-6-9(12-2)11-10(8)13-7-14-11/h5-6H,3-4,7H2,1-2H3
InChIKeyHRUCCQNONJBVKQ-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-7-propyl-1,3-benzodioxole?
The IUPAC name of 4-methoxy-7-propyl-1,3-benzodioxole (CID 14601156) is 4-methoxy-7-propyl-1,3-benzodioxole.
What is the SMILES notation for 4-methoxy-7-propyl-1,3-benzodioxole?
The canonical SMILES for 4-methoxy-7-propyl-1,3-benzodioxole is CCCc1ccc(OC)c2c1OCO2.
What is the InChIKey of 4-methoxy-7-propyl-1,3-benzodioxole?
The InChIKey is HRUCCQNONJBVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-3-4-8-5-6-9(12-2)11-10(8)13-7-14-11/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 4-methoxy-7-propyl-1,3-benzodioxole?
4-methoxy-7-propyl-1,3-benzodioxole has a molecular weight of 194.23 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-7-propyl-1,3-benzodioxole is sourced from PubChem (CID 14601156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).