5-(2-methylpropoxy)-1,3-benzodioxole

C11H14O3 — CID 59144833

IUPAC5-(2-methylpropoxy)-1,3-benzodioxole
SMILESCC(C)COc1ccc2c(c1)OCO2
InChIInChI=1S/C11H14O3/c1-8(2)6-12-9-3-4-10-11(5-9)14-7-13-10/h3-5,8H,6-7H2,1-2H3
InChIKeyXVHQLTGWWOKTAI-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.45
Rot. Bonds3

About 5-(2-methylpropoxy)-1,3-benzodioxole

5-(2-methylpropoxy)-1,3-benzodioxole (PubChem CID 59144833) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 5-(2-methylpropoxy)-1,3-benzodioxole.

Molecular Properties

Compound Name5-(2-methylpropoxy)-1,3-benzodioxole
PubChem CID59144833
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name5-(2-methylpropoxy)-1,3-benzodioxole
SMILESCC(C)COc1ccc2c(c1)OCO2
InChIInChI=1S/C11H14O3/c1-8(2)6-12-9-3-4-10-11(5-9)14-7-13-10/h3-5,8H,6-7H2,1-2H3
InChIKeyXVHQLTGWWOKTAI-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-benzodioxol-5-yloxy)propan-2-amine
CID 21474843
(2R)-1-(1,3-benzodioxol-5-yloxy)-4-methylpentan-2-ol
CID 164702579
(2S)-1-(1,3-benzodioxol-5-yloxy)-3-methylbutan-2-amine
CID 82080454
3-(1,3-benzodioxol-5-yloxy)-2-methylpropanenitrile
CID 43174885
(2R)-1-(1,3-benzodioxol-5-yloxy)butan-2-ol
CID 164702589
1-(1,3-benzodioxol-5-yloxy)pentan-2-ol
CID 62041506
5-(2-bromo-3,3,3-trifluoropropoxy)-1,3-benzodioxole
CID 64757101
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]propan-2-amine
CID 14809521
2-(1,3-benzodioxol-5-yloxy)-1-(4-methoxyphenyl)ethanamine
CID 43211655
(2S)-1-(1,3-benzodioxol-5-yloxy)-3-[4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]piperazin-1-yl]propan-2-ol
CID 1051437
2-(1,3-benzodioxol-5-yloxy)-1-cyclopentylethanamine
CID 104748816
2-(1,3-benzodioxol-5-yl)-3-[3-(2-methylpropoxy)phenyl]propan-1-amine
CID 83973950

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropoxy)-1,3-benzodioxole?
The IUPAC name of 5-(2-methylpropoxy)-1,3-benzodioxole (CID 59144833) is 5-(2-methylpropoxy)-1,3-benzodioxole.
What is the SMILES notation for 5-(2-methylpropoxy)-1,3-benzodioxole?
The canonical SMILES for 5-(2-methylpropoxy)-1,3-benzodioxole is CC(C)COc1ccc2c(c1)OCO2.
What is the InChIKey of 5-(2-methylpropoxy)-1,3-benzodioxole?
The InChIKey is XVHQLTGWWOKTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-8(2)6-12-9-3-4-10-11(5-9)14-7-13-10/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 5-(2-methylpropoxy)-1,3-benzodioxole?
5-(2-methylpropoxy)-1,3-benzodioxole has a molecular weight of 194.23 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropoxy)-1,3-benzodioxole is sourced from PubChem (CID 59144833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).