spiro[6,7-dihydro-2-benzofuran-5,4'-oxane]-4-one

C12H14O3 — CID 112715921

IUPACspiro[6,7-dihydro-2-benzofuran-5,4'-oxane]-4-one
SMILESO=C1c2cocc2CCC12CCOCC2
InChIInChI=1S/C12H14O3/c13-11-10-8-15-7-9(10)1-2-12(11)3-5-14-6-4-12/h7-8H,1-6H2
InChIKeyBCTKCEQOQJCNHA-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.21
Rot. Bonds

About spiro[6,7-dihydro-2-benzofuran-5,4'-oxane]-4-one

spiro[6,7-dihydro-2-benzofuran-5,4'-oxane]-4-one (PubChem CID 112715921) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is spiro[6,7-dihydro-2-benzofuran-5,4'-oxane]-4-one.

Molecular Properties

Compound Namespiro[6,7-dihydro-2-benzofuran-5,4'-oxane]-4-one
PubChem CID112715921
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Namespiro[6,7-dihydro-2-benzofuran-5,4'-oxane]-4-one
SMILESO=C1c2cocc2CCC12CCOCC2
InChIInChI=1S/C12H14O3/c13-11-10-8-15-7-9(10)1-2-12(11)3-5-14-6-4-12/h7-8H,1-6H2
InChIKeyBCTKCEQOQJCNHA-UHFFFAOYSA-N
XLogP2.21
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze spiro[6,7-dihydro-2-benzofuran-5,4'-oxane]-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

spiro[6,7-dihydro-2-benzofuran-5,1'-cyclopentane]-4-one
CID 112714872
spiro[3H-indene-2,4'-oxane]-1-one
CID 100741937
1'-methylspiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one
CID 10263215
spiro[7,8-dihydroisoquinoline-6,1'-cyclopropane]-5-one
CID 112714409
spiro[6,7-dihydro-2H-isoindole-5,1'-cyclobutane]-4-one
CID 112714425
spiro[6,7-dihydro-1-benzofuran-5,1'-cyclobutane]-4-one
CID 112714431
spiro[7,8-dihydroisoquinoline-6,1'-cyclobutane]-5-one
CID 112714834
6-(3-isocyanophenyl)spiro[3H-indene-2,4'-oxane]-1-one
CID 58198220
2,8-dioxaspiro[4.5]decan-4-one
CID 167727896
2-(4-bromophenyl)-8-oxa-2-azaspiro[4.5]decan-1-one
CID 58468052
7-oxaspiro[3.5]nonan-2-one
CID 67451909
7-fluorospiro[3,4-dihydronaphthalene-1,4'-oxane]-2-one
CID 115010930

Frequently Asked Questions

What is the IUPAC name of spiro[6,7-dihydro-2-benzofuran-5,4'-oxane]-4-one?
The IUPAC name of spiro[6,7-dihydro-2-benzofuran-5,4'-oxane]-4-one (CID 112715921) is spiro[6,7-dihydro-2-benzofuran-5,4'-oxane]-4-one.
What is the SMILES notation for spiro[6,7-dihydro-2-benzofuran-5,4'-oxane]-4-one?
The canonical SMILES for spiro[6,7-dihydro-2-benzofuran-5,4'-oxane]-4-one is O=C1c2cocc2CCC12CCOCC2.
What is the InChIKey of spiro[6,7-dihydro-2-benzofuran-5,4'-oxane]-4-one?
The InChIKey is BCTKCEQOQJCNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c13-11-10-8-15-7-9(10)1-2-12(11)3-5-14-6-4-12/h7-8H,1-6H2.
What are the key properties of spiro[6,7-dihydro-2-benzofuran-5,4'-oxane]-4-one?
spiro[6,7-dihydro-2-benzofuran-5,4'-oxane]-4-one has a molecular weight of 206.24 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[6,7-dihydro-2-benzofuran-5,4'-oxane]-4-one is sourced from PubChem (CID 112715921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).