1-[6-(methoxymethoxy)-2,3-dihydro-1-benzofuran-5-yl]ethanone

C12H14O4 — CID 24977225

IUPAC1-[6-(methoxymethoxy)-2,3-dihydro-1-benzofuran-5-yl]ethanone
SMILESCOCOc1cc2c(cc1C(C)=O)CCO2
InChIInChI=1S/C12H14O4/c1-8(13)10-5-9-3-4-15-11(9)6-12(10)16-7-14-2/h5-6H,3-4,7H2,1-2H3
InChIKeyNLLQNISJQFVIBF-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.81
Rot. Bonds4

About 1-[6-(methoxymethoxy)-2,3-dihydro-1-benzofuran-5-yl]ethanone

1-[6-(methoxymethoxy)-2,3-dihydro-1-benzofuran-5-yl]ethanone (PubChem CID 24977225) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-[6-(methoxymethoxy)-2,3-dihydro-1-benzofuran-5-yl]ethanone.

Molecular Properties

Compound Name1-[6-(methoxymethoxy)-2,3-dihydro-1-benzofuran-5-yl]ethanone
PubChem CID24977225
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name1-[6-(methoxymethoxy)-2,3-dihydro-1-benzofuran-5-yl]ethanone
SMILESCOCOc1cc2c(cc1C(C)=O)CCO2
InChIInChI=1S/C12H14O4/c1-8(13)10-5-9-3-4-15-11(9)6-12(10)16-7-14-2/h5-6H,3-4,7H2,1-2H3
InChIKeyNLLQNISJQFVIBF-UHFFFAOYSA-N
XLogP1.81
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(5-ethoxy-2,3-dihydro-1-benzofuran-6-yl)ethanone
CID 83882748
methyl 2-[4-[3-[[5-(methoxymethoxy)-2,3-dihydro-1-benzofuran-6-yl]oxy]propoxy]phenyl]acetate
CID 14484939
1-[5-iodo-2,4-bis(methoxymethoxy)phenyl]ethanone
CID 102126873
1-[6-(dimethylamino)-3-(methoxymethoxy)naphthalen-2-yl]ethanone
CID 153489902
6-bromo-2,3-dihydro-1-benzofuran-5-ol;methoxy(methoxymethoxy)methane
CID 22159432
2-(5-propan-2-yloxy-2,3-dihydro-1-benzofuran-6-yl)acetic acid
CID 83897026
1-[2,4,6-tris(methoxymethoxy)phenyl]ethanone
CID 10935461
5-methoxy-2,3-dihydro-1-benzofuran-6-ol
CID 10953886
1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanone
CID 22363866
ethyl 2,3-dihydrobenzo[f][1]benzofuran-6-carboxylate
CID 18769105
1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)propan-2-one
CID 117284367
N-(2,3-dihydro-1-benzofuran-5-yl)-4-ethoxybenzamide
CID 38558658

Frequently Asked Questions

What is the IUPAC name of 1-[6-(methoxymethoxy)-2,3-dihydro-1-benzofuran-5-yl]ethanone?
The IUPAC name of 1-[6-(methoxymethoxy)-2,3-dihydro-1-benzofuran-5-yl]ethanone (CID 24977225) is 1-[6-(methoxymethoxy)-2,3-dihydro-1-benzofuran-5-yl]ethanone.
What is the SMILES notation for 1-[6-(methoxymethoxy)-2,3-dihydro-1-benzofuran-5-yl]ethanone?
The canonical SMILES for 1-[6-(methoxymethoxy)-2,3-dihydro-1-benzofuran-5-yl]ethanone is COCOc1cc2c(cc1C(C)=O)CCO2.
What is the InChIKey of 1-[6-(methoxymethoxy)-2,3-dihydro-1-benzofuran-5-yl]ethanone?
The InChIKey is NLLQNISJQFVIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-8(13)10-5-9-3-4-15-11(9)6-12(10)16-7-14-2/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 1-[6-(methoxymethoxy)-2,3-dihydro-1-benzofuran-5-yl]ethanone?
1-[6-(methoxymethoxy)-2,3-dihydro-1-benzofuran-5-yl]ethanone has a molecular weight of 222.24 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(methoxymethoxy)-2,3-dihydro-1-benzofuran-5-yl]ethanone is sourced from PubChem (CID 24977225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).