hydron;5-(oxiran-2-ylmethoxy)-2-benzofuran-1,3-dione

C11H9O5+ — CID 174669701

IUPAChydron;5-(oxiran-2-ylmethoxy)-2-benzofuran-1,3-dione
SMILESO=C1OC(=O)c2cc(OCC3CO3)ccc21.[H+]
InChIInChI=1S/C11H8O5/c12-10-8-2-1-6(14-4-7-5-15-7)3-9(8)11(13)16-10/h1-3,7H,4-5H2/p+1
InChIKeyRIAUSLTUSBPZFS-UHFFFAOYSA-O
MW221.19 g/mol
LogP0.89
Rot. Bonds3

About hydron;5-(oxiran-2-ylmethoxy)-2-benzofuran-1,3-dione

hydron;5-(oxiran-2-ylmethoxy)-2-benzofuran-1,3-dione (PubChem CID 174669701) has the molecular formula C11H9O5+ and a molecular weight of 221.19 g/mol. Its IUPAC name is hydron;5-(oxiran-2-ylmethoxy)-2-benzofuran-1,3-dione.

Molecular Properties

Compound Namehydron;5-(oxiran-2-ylmethoxy)-2-benzofuran-1,3-dione
PubChem CID174669701
Molecular FormulaC11H9O5+
Molecular Weight221.19 g/mol
Exact Mass221.04
IUPAC Namehydron;5-(oxiran-2-ylmethoxy)-2-benzofuran-1,3-dione
SMILESO=C1OC(=O)c2cc(OCC3CO3)ccc21.[H+]
InChIInChI=1S/C11H8O5/c12-10-8-2-1-6(14-4-7-5-15-7)3-9(8)11(13)16-10/h1-3,7H,4-5H2/p+1
InChIKeyRIAUSLTUSBPZFS-UHFFFAOYSA-O
XLogP0.89
TPSA65.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

5-(oxiran-2-ylmethoxy)-2-[3-(oxiran-2-ylmethoxy)phenyl]isoindole-1,3-dione
CID 139773379
2-[3,5-bis(oxiran-2-ylmethoxy)phenyl]-5-(oxiran-2-ylmethoxy)isoindole-1,3-dione
CID 139773404
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
5-(oxiran-2-ylmethoxy)-2-[2-(oxiran-2-ylmethoxy)phenyl]isoindole-1,3-dione
CID 139773375
(2S)-2-(naphthalen-2-yloxymethyl)oxirane
CID 726163
5-[2-[2-[2-[2-[2-[(1,3-dioxo-2-benzofuran-5-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-benzofuran-1,3-dione
CID 101165198
2-[[2-[2,6-bis(oxiran-2-ylmethoxy)phenyl]-5-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 129094059
5-propoxy-2-benzofuran-1,3-dione
CID 139672196
5-(2-methylpropoxy)-2-benzofuran-1,3-dione
CID 139672228
2-[4,6-bis[2-hydroxy-4-(oxiran-2-ylmethoxy)phenyl]-1,3,5-triazin-2-yl]-5-(oxiran-2-ylmethoxy)phenol
CID 147213170
2,6-bis(oxiran-2-ylmethoxy)xanthen-9-one
CID 10065831
2-[[3-[1,3,3-tris[3-(oxiran-2-ylmethoxy)phenyl]propyl]phenoxy]methyl]oxirane
CID 59217386

Frequently Asked Questions

What is the IUPAC name of hydron;5-(oxiran-2-ylmethoxy)-2-benzofuran-1,3-dione?
The IUPAC name of hydron;5-(oxiran-2-ylmethoxy)-2-benzofuran-1,3-dione (CID 174669701) is hydron;5-(oxiran-2-ylmethoxy)-2-benzofuran-1,3-dione.
What is the SMILES notation for hydron;5-(oxiran-2-ylmethoxy)-2-benzofuran-1,3-dione?
The canonical SMILES for hydron;5-(oxiran-2-ylmethoxy)-2-benzofuran-1,3-dione is O=C1OC(=O)c2cc(OCC3CO3)ccc21.[H+].
What is the InChIKey of hydron;5-(oxiran-2-ylmethoxy)-2-benzofuran-1,3-dione?
The InChIKey is RIAUSLTUSBPZFS-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H8O5/c12-10-8-2-1-6(14-4-7-5-15-7)3-9(8)11(13)16-10/h1-3,7H,4-5H2/p+1.
What are the key properties of hydron;5-(oxiran-2-ylmethoxy)-2-benzofuran-1,3-dione?
hydron;5-(oxiran-2-ylmethoxy)-2-benzofuran-1,3-dione has a molecular weight of 221.19 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;5-(oxiran-2-ylmethoxy)-2-benzofuran-1,3-dione is sourced from PubChem (CID 174669701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).