6-[2-(1,3-dioxan-2-yl)ethoxy]-1-benzofuran-3-one

C14H16O5 — CID 66474358

IUPAC6-[2-(1,3-dioxan-2-yl)ethoxy]-1-benzofuran-3-one
SMILESO=C1COc2cc(OCCC3OCCCO3)ccc21
InChIInChI=1S/C14H16O5/c15-12-9-19-13-8-10(2-3-11(12)13)16-7-4-14-17-5-1-6-18-14/h2-3,8,14H,1,4-7,9H2
InChIKeyNFTCFLBNAHJEAR-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.79
Rot. Bonds4

About 6-[2-(1,3-dioxan-2-yl)ethoxy]-1-benzofuran-3-one

6-[2-(1,3-dioxan-2-yl)ethoxy]-1-benzofuran-3-one (PubChem CID 66474358) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is 6-[2-(1,3-dioxan-2-yl)ethoxy]-1-benzofuran-3-one.

Molecular Properties

Compound Name6-[2-(1,3-dioxan-2-yl)ethoxy]-1-benzofuran-3-one
PubChem CID66474358
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Name6-[2-(1,3-dioxan-2-yl)ethoxy]-1-benzofuran-3-one
SMILESO=C1COc2cc(OCCC3OCCCO3)ccc21
InChIInChI=1S/C14H16O5/c15-12-9-19-13-8-10(2-3-11(12)13)16-7-4-14-17-5-1-6-18-14/h2-3,8,14H,1,4-7,9H2
InChIKeyNFTCFLBNAHJEAR-UHFFFAOYSA-N
XLogP1.79
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-oxo-1-benzofuran-6-yl)oxy]propanoic acid
CID 16776711
6-(3,3-dimethylbutoxy)-1-benzofuran-3-one
CID 55025234
6-(5-oxohexoxy)-1-benzofuran-3-one
CID 62033271
2-[(3-oxo-1-benzofuran-6-yl)oxy]acetamide
CID 60772542
6-(2-propoxyethoxy)-1-benzofuran-3-one
CID 106452922
6-pent-3-ynoxy-1-benzofuran-3-one
CID 104807818
ethyl 3-[(3-oxo-1-benzofuran-6-yl)oxy]propanoate
CID 43516984
2-[2-(4-bromo-3-methylphenoxy)ethyl]-1,3-dioxane
CID 79015613
6-[2-(2,2,2-trifluoroethoxy)ethoxy]-1-benzofuran-3-one
CID 63097111
N-ethyl-3-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide
CID 63094835
6-(2-hydroxy-3-propan-2-yloxypropoxy)-1-benzofuran-3-one
CID 63989056
2-[(3-oxo-1-benzofuran-6-yl)oxy]-N-propan-2-ylacetamide
CID 60772248

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1,3-dioxan-2-yl)ethoxy]-1-benzofuran-3-one?
The IUPAC name of 6-[2-(1,3-dioxan-2-yl)ethoxy]-1-benzofuran-3-one (CID 66474358) is 6-[2-(1,3-dioxan-2-yl)ethoxy]-1-benzofuran-3-one.
What is the SMILES notation for 6-[2-(1,3-dioxan-2-yl)ethoxy]-1-benzofuran-3-one?
The canonical SMILES for 6-[2-(1,3-dioxan-2-yl)ethoxy]-1-benzofuran-3-one is O=C1COc2cc(OCCC3OCCCO3)ccc21.
What is the InChIKey of 6-[2-(1,3-dioxan-2-yl)ethoxy]-1-benzofuran-3-one?
The InChIKey is NFTCFLBNAHJEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O5/c15-12-9-19-13-8-10(2-3-11(12)13)16-7-4-14-17-5-1-6-18-14/h2-3,8,14H,1,4-7,9H2.
What are the key properties of 6-[2-(1,3-dioxan-2-yl)ethoxy]-1-benzofuran-3-one?
6-[2-(1,3-dioxan-2-yl)ethoxy]-1-benzofuran-3-one has a molecular weight of 264.28 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1,3-dioxan-2-yl)ethoxy]-1-benzofuran-3-one is sourced from PubChem (CID 66474358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).