1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)propan-1-one

C12H14O4 — CID 155429603

IUPAC1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)propan-1-one
SMILESCCC(=O)c1ccc(OC)c2c1OCCO2
InChIInChI=1S/C12H14O4/c1-3-9(13)8-4-5-10(14-2)12-11(8)15-6-7-16-12/h4-5H,3,6-7H2,1-2H3
InChIKeyKWUVSYHITHDJNQ-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.06
Rot. Bonds3

About 1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)propan-1-one

1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)propan-1-one (PubChem CID 155429603) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)propan-1-one
PubChem CID155429603
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)propan-1-one
SMILESCCC(=O)c1ccc(OC)c2c1OCCO2
InChIInChI=1S/C12H14O4/c1-3-9(13)8-4-5-10(14-2)12-11(8)15-6-7-16-12/h4-5H,3,6-7H2,1-2H3
InChIKeyKWUVSYHITHDJNQ-UHFFFAOYSA-N
XLogP2.06
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 7-methoxy-1,3-benzodioxole-4-carboxylate
CID 19967040
N-(3,5-dichloro-4-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-8-carboxamide
CID 22734457
2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)-1-(15-methoxy-2,6,10-trioxabicyclo[9.4.0]pentadeca-1(15),11,13-trien-12-yl)ethanone
CID 149447168
sodium 4-(7-methoxy-2,3-dihydro-1-benzofuran-4-yl)-4-oxobutanoate
CID 23691736
1-(4-hydroxy-2-methoxyphenyl)propan-1-one
CID 68757137
1-(5-hydroxy-2-methoxyphenyl)propan-1-one
CID 15574178
3-[1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)-4-oxocyclohexyl]propanoic acid
CID 12052223
5-methoxy-N-[[(4S)-3-methoxypiperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-8-carboxamide
CID 70884035
1-(4-chloro-2-methoxyphenyl)propan-1-one
CID 19901195
N-[[(4S)-1-butyl-3-hydroxypiperidin-4-yl]methyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-8-carboxamide
CID 70949518
N-(2-hydroxy-6-methoxy-3-propanoylphenyl)propanamide
CID 59376507
1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethanone
CID 84675883

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)propan-1-one?
The IUPAC name of 1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)propan-1-one (CID 155429603) is 1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)propan-1-one.
What is the SMILES notation for 1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)propan-1-one?
The canonical SMILES for 1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)propan-1-one is CCC(=O)c1ccc(OC)c2c1OCCO2.
What is the InChIKey of 1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)propan-1-one?
The InChIKey is KWUVSYHITHDJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-3-9(13)8-4-5-10(14-2)12-11(8)15-6-7-16-12/h4-5H,3,6-7H2,1-2H3.
What are the key properties of 1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)propan-1-one?
1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)propan-1-one has a molecular weight of 222.24 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)propan-1-one is sourced from PubChem (CID 155429603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).