1-(1,3-benzodioxol-5-yl)-2-(2-cyclobutylethoxy)ethanone

C15H18O4 — CID 114157694

IUPAC1-(1,3-benzodioxol-5-yl)-2-(2-cyclobutylethoxy)ethanone
SMILESO=C(COCCC1CCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H18O4/c16-13(9-17-7-6-11-2-1-3-11)12-4-5-14-15(8-12)19-10-18-14/h4-5,8,11H,1-3,6-7,9-10H2
InChIKeyGLMLOYVYTVSBDE-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.80
Rot. Bonds6

About 1-(1,3-benzodioxol-5-yl)-2-(2-cyclobutylethoxy)ethanone

1-(1,3-benzodioxol-5-yl)-2-(2-cyclobutylethoxy)ethanone (PubChem CID 114157694) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-2-(2-cyclobutylethoxy)ethanone.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-2-(2-cyclobutylethoxy)ethanone
PubChem CID114157694
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name1-(1,3-benzodioxol-5-yl)-2-(2-cyclobutylethoxy)ethanone
SMILESO=C(COCCC1CCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H18O4/c16-13(9-17-7-6-11-2-1-3-11)12-4-5-14-15(8-12)19-10-18-14/h4-5,8,11H,1-3,6-7,9-10H2
InChIKeyGLMLOYVYTVSBDE-UHFFFAOYSA-N
XLogP2.80
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1,3-benzodioxol-5-yl)-2-[cyclobutylmethyl(ethyl)amino]ethanone
CID 107399799
1-(1,3-benzodioxol-5-yl)-2-(3-methylcyclohexyl)oxyethanone
CID 43800920
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2,2-dimethylpropanoate
CID 135086265
1-(1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)methoxy]ethanone
CID 82810494
1-(1,3-benzodioxol-5-yl)-2-(cyclopropylamino)ethanone
CID 82114127
1-(1,3-benzodioxol-5-yl)-2-[bis(2-methoxyethyl)amino]ethanone
CID 60679019
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 4-methylsulfanylbenzoate
CID 8507555
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-methylbutanoate
CID 55510766
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] pyridine-3-carboxylate
CID 9413749
1-(1,3-benzodioxol-5-yl)-2-(6-bromonaphthalen-2-yl)oxyethanone
CID 8022199
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate
CID 7635121
1-(1,3-benzodioxole-5-carbonyl)-N-(cyclohexylmethyl)azetidine-3-carboxamide
CID 90512909

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-(2-cyclobutylethoxy)ethanone?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-(2-cyclobutylethoxy)ethanone (CID 114157694) is 1-(1,3-benzodioxol-5-yl)-2-(2-cyclobutylethoxy)ethanone.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-2-(2-cyclobutylethoxy)ethanone?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-2-(2-cyclobutylethoxy)ethanone is O=C(COCCC1CCC1)c1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-2-(2-cyclobutylethoxy)ethanone?
The InChIKey is GLMLOYVYTVSBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c16-13(9-17-7-6-11-2-1-3-11)12-4-5-14-15(8-12)19-10-18-14/h4-5,8,11H,1-3,6-7,9-10H2.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-2-(2-cyclobutylethoxy)ethanone?
1-(1,3-benzodioxol-5-yl)-2-(2-cyclobutylethoxy)ethanone has a molecular weight of 262.31 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-2-(2-cyclobutylethoxy)ethanone is sourced from PubChem (CID 114157694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).