2-(1,3-benzodioxol-5-yloxy)-1-(4-methylphenyl)ethanone

C16H14O4 — CID 38114433

IUPAC2-(1,3-benzodioxol-5-yloxy)-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)COc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C16H14O4/c1-11-2-4-12(5-3-11)14(17)9-18-13-6-7-15-16(8-13)20-10-19-15/h2-8H,9-10H2,1H3
InChIKeyACCIVBZCOGLEDY-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.99
Rot. Bonds4

About 2-(1,3-benzodioxol-5-yloxy)-1-(4-methylphenyl)ethanone

2-(1,3-benzodioxol-5-yloxy)-1-(4-methylphenyl)ethanone (PubChem CID 38114433) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-1-(4-methylphenyl)ethanone
PubChem CID38114433
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)COc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C16H14O4/c1-11-2-4-12(5-3-11)14(17)9-18-13-6-7-15-16(8-13)20-10-19-15/h2-8H,9-10H2,1H3
InChIKeyACCIVBZCOGLEDY-UHFFFAOYSA-N
XLogP2.99
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzodioxol-5-yl)-2-(6-bromonaphthalen-2-yl)oxyethanone
CID 8022199
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 9326283
2-(3,4-difluorophenoxy)-1-(4-methylphenyl)ethanone
CID 43612523
1,3-benzodioxol-5-yl 2-(3,4-dimethylphenoxy)acetate
CID 7741611
1-(1,3-benzodioxol-5-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
CID 8528159
2-(1,3-benzodioxol-5-yloxy)-N-(2-chloro-4-methylphenyl)acetamide
CID 7894417
2-(4-acetylphenoxy)-1-(4-methylphenyl)ethanone
CID 60625443
2-(1,3-benzodioxol-5-yloxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone
CID 94283082
1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propane-1,3-dione
CID 13263263
1,3-benzodioxol-5-yl-(4-ethoxyphenyl)methanone
CID 43338385
N,2-bis(1,3-benzodioxol-5-yloxy)acetamide
CID 158353921
2-(1,3-benzodioxol-5-yloxy)-1-pyrrolidin-1-ylethanone
CID 6458739

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-1-(4-methylphenyl)ethanone (CID 38114433) is 2-(1,3-benzodioxol-5-yloxy)-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-1-(4-methylphenyl)ethanone is Cc1ccc(C(=O)COc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-1-(4-methylphenyl)ethanone?
The InChIKey is ACCIVBZCOGLEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-11-2-4-12(5-3-11)14(17)9-18-13-6-7-15-16(8-13)20-10-19-15/h2-8H,9-10H2,1H3.
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-1-(4-methylphenyl)ethanone?
2-(1,3-benzodioxol-5-yloxy)-1-(4-methylphenyl)ethanone has a molecular weight of 270.28 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 38114433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).