2-(dioxetan-3-yl)-1-benzofuran

C10H8O3 — CID 139777260

IUPAC2-(dioxetan-3-yl)-1-benzofuran
SMILESc1ccc2oc(C3COO3)cc2c1
InChIInChI=1S/C10H8O3/c1-2-4-8-7(3-1)5-9(12-8)10-6-11-13-10/h1-5,10H,6H2
InChIKeyCEHZDLUKKOKOKV-UHFFFAOYSA-N
MW176.17 g/mol
LogP2.44
Rot. Bonds1

About 2-(dioxetan-3-yl)-1-benzofuran

2-(dioxetan-3-yl)-1-benzofuran (PubChem CID 139777260) has the molecular formula C10H8O3 and a molecular weight of 176.17 g/mol. Its IUPAC name is 2-(dioxetan-3-yl)-1-benzofuran.

Molecular Properties

Compound Name2-(dioxetan-3-yl)-1-benzofuran
PubChem CID139777260
Molecular FormulaC10H8O3
Molecular Weight176.17 g/mol
Exact Mass176.05
IUPAC Name2-(dioxetan-3-yl)-1-benzofuran
SMILESc1ccc2oc(C3COO3)cc2c1
InChIInChI=1S/C10H8O3/c1-2-4-8-7(3-1)5-9(12-8)10-6-11-13-10/h1-5,10H,6H2
InChIKeyCEHZDLUKKOKOKV-UHFFFAOYSA-N
XLogP2.44
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

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CID 12528043
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2-(3,4-dimethyloxolan-2-yl)-1-benzofuran
CID 118967498
(4S)-4-(1-benzofuran-2-yl)oxathiazolidine 2,2-dioxide
CID 142711103
2-(1-benzofuran-2-yl)-2,3,4,5-tetrahydropyridine
CID 70570893
1-[2-(1-benzofuran-2-yl)oxolan-3-yl]-N-methylmethanamine
CID 79367665
3-(1-benzofuran-2-yl)-2-methylcyclopentan-1-amine
CID 114733615
2-(1,3-benzodithiol-2-yl)-1-benzofuran
CID 102436432
3-(1-benzofuran-2-yl)cyclopentan-1-amine
CID 112705606
2-(1-benzofuran-2-yl)-8-bromo-3,4-dihydro-2H-1,4-benzoxazine
CID 81495338
2-(1-benzofuran-2-yl)-1,3-thiazolidine
CID 63898466
3-(1-benzofuran-2-yl)-2-methylpyrrolidine
CID 63897339

Frequently Asked Questions

What is the IUPAC name of 2-(dioxetan-3-yl)-1-benzofuran?
The IUPAC name of 2-(dioxetan-3-yl)-1-benzofuran (CID 139777260) is 2-(dioxetan-3-yl)-1-benzofuran.
What is the SMILES notation for 2-(dioxetan-3-yl)-1-benzofuran?
The canonical SMILES for 2-(dioxetan-3-yl)-1-benzofuran is c1ccc2oc(C3COO3)cc2c1.
What is the InChIKey of 2-(dioxetan-3-yl)-1-benzofuran?
The InChIKey is CEHZDLUKKOKOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3/c1-2-4-8-7(3-1)5-9(12-8)10-6-11-13-10/h1-5,10H,6H2.
What are the key properties of 2-(dioxetan-3-yl)-1-benzofuran?
2-(dioxetan-3-yl)-1-benzofuran has a molecular weight of 176.17 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dioxetan-3-yl)-1-benzofuran is sourced from PubChem (CID 139777260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).