5-methoxy-1,3-benzodioxole

C8H8O3 — CID 592453

IUPAC5-methoxy-1,3-benzodioxole
SMILESCOc1ccc2c(c1)OCO2
InChIInChI=1S/C8H8O3/c1-9-6-2-3-7-8(4-6)11-5-10-7/h2-4H,5H2,1H3
InChIKeyZOILPUKKYLZIMU-UHFFFAOYSA-N
MW152.15 g/mol
LogP1.42
Rot. Bonds1

About 5-methoxy-1,3-benzodioxole

5-methoxy-1,3-benzodioxole (PubChem CID 592453) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is 5-methoxy-1,3-benzodioxole.

Molecular Properties

Compound Name5-methoxy-1,3-benzodioxole
PubChem CID592453
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name5-methoxy-1,3-benzodioxole
SMILESCOc1ccc2c(c1)OCO2
InChIInChI=1S/C8H8O3/c1-9-6-2-3-7-8(4-6)11-5-10-7/h2-4H,5H2,1H3
InChIKeyZOILPUKKYLZIMU-UHFFFAOYSA-N
XLogP1.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-methoxy-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

Sesamol
CID 68289
Myristicin
CID 4276
Apiole
CID 10659
3,4,5-Trimethoxyphenol
CID 69505
1,3-Benzodioxole
CID 9229
1,2,4-Trimethoxybenzene
CID 67284
Dillapiol
CID 10231
1,2,3-Trimethoxybenzene
CID 12462
Isomyristicin
CID 6436484
Bendiocarb phenol
CID 62765
3,4-Dimethoxyphenol
CID 16251
Isodillapiole
CID 11435991

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,3-benzodioxole?
The IUPAC name of 5-methoxy-1,3-benzodioxole (CID 592453) is 5-methoxy-1,3-benzodioxole.
What is the SMILES notation for 5-methoxy-1,3-benzodioxole?
The canonical SMILES for 5-methoxy-1,3-benzodioxole is COc1ccc2c(c1)OCO2.
What is the InChIKey of 5-methoxy-1,3-benzodioxole?
The InChIKey is ZOILPUKKYLZIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3/c1-9-6-2-3-7-8(4-6)11-5-10-7/h2-4H,5H2,1H3.
What are the key properties of 5-methoxy-1,3-benzodioxole?
5-methoxy-1,3-benzodioxole has a molecular weight of 152.15 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,3-benzodioxole is sourced from PubChem (CID 592453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).