1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethanone

C11H12O4 — CID 84675883

IUPAC1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethanone
SMILESCOc1ccc2c(c1C(C)=O)OCCO2
InChIInChI=1S/C11H12O4/c1-7(12)10-8(13-2)3-4-9-11(10)15-6-5-14-9/h3-4H,5-6H2,1-2H3
InChIKeyIZRFBIMOGMCMNM-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.67
Rot. Bonds2

About 1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethanone

1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethanone (PubChem CID 84675883) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethanone.

Molecular Properties

Compound Name1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethanone
PubChem CID84675883
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethanone
SMILESCOc1ccc2c(c1C(C)=O)OCCO2
InChIInChI=1S/C11H12O4/c1-7(12)10-8(13-2)3-4-9-11(10)15-6-5-14-9/h3-4H,5-6H2,1-2H3
InChIKeyIZRFBIMOGMCMNM-UHFFFAOYSA-N
XLogP1.67
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-5-prop-1-en-2-yl-2,3-dihydro-1,4-benzodioxine;2-methylbuta-1,3-diene
CID 86600725
2-(5-methoxy-1,3-benzodioxol-4-yl)-2-oxoacetic acid
CID 117321217
2-amino-2-(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)acetic acid
CID 117385402
methyl 5-methoxy-2,3-dihydro-1-benzofuran-4-carboxylate
CID 10081776
2-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)acetonitrile
CID 84778202
3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene
CID 54006719
1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-2-amine
CID 117319889
2,3-dihydro-1,4-benzodioxin-5-yl-(5-fluoro-2-methoxyphenyl)methanone
CID 105125143
6-fluoro-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
CID 84668016
ethyl 2-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-oxoacetate
CID 117383240
5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazole-3-carboxylic acid
CID 117468837
1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)propan-1-one
CID 155429603

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethanone?
The IUPAC name of 1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethanone (CID 84675883) is 1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethanone.
What is the SMILES notation for 1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethanone?
The canonical SMILES for 1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethanone is COc1ccc2c(c1C(C)=O)OCCO2.
What is the InChIKey of 1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethanone?
The InChIKey is IZRFBIMOGMCMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-7(12)10-8(13-2)3-4-9-11(10)15-6-5-14-9/h3-4H,5-6H2,1-2H3.
What are the key properties of 1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethanone?
1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethanone has a molecular weight of 208.21 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethanone is sourced from PubChem (CID 84675883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).