spiro[2-benzofuran-3,1'-cyclopentane]-1-one

C12H12O2 — CID 3055899

IUPACspiro[2-benzofuran-3,1'-cyclopentane]-1-one
SMILESO=C1OC2(CCCC2)c2ccccc21
InChIInChI=1S/C12H12O2/c13-11-9-5-1-2-6-10(9)12(14-11)7-3-4-8-12/h1-2,5-6H,3-4,7-8H2
InChIKeyQKLSNEUUBSCPLL-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.63
Rot. Bonds

About spiro[2-benzofuran-3,1'-cyclopentane]-1-one

spiro[2-benzofuran-3,1'-cyclopentane]-1-one (PubChem CID 3055899) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is spiro[2-benzofuran-3,1'-cyclopentane]-1-one.

Molecular Properties

Compound Namespiro[2-benzofuran-3,1'-cyclopentane]-1-one
PubChem CID3055899
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Namespiro[2-benzofuran-3,1'-cyclopentane]-1-one
SMILESO=C1OC2(CCCC2)c2ccccc21
InChIInChI=1S/C12H12O2/c13-11-9-5-1-2-6-10(9)12(14-11)7-3-4-8-12/h1-2,5-6H,3-4,7-8H2
InChIKeyQKLSNEUUBSCPLL-UHFFFAOYSA-N
XLogP2.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Diethyl Phthalate
CID 6781
Butylphthalide
CID 61361
Dimethyl Phthalate
CID 8554
Phthalic Anhydride
CID 6811
Dipropyl phthalate
CID 8559
Diallyl phthalate
CID 8560
Phthalide
CID 6885
Linalyl benzoate
CID 31353
Butylidenephthalide
CID 5352899
4-Methylphthalic anhydride
CID 88069
Diisopropyl phthalate
CID 11799
5,5'-Bi-2-benzofuran-1,1',3,3'-tetrone
CID 75494

Frequently Asked Questions

What is the IUPAC name of spiro[2-benzofuran-3,1'-cyclopentane]-1-one?
The IUPAC name of spiro[2-benzofuran-3,1'-cyclopentane]-1-one (CID 3055899) is spiro[2-benzofuran-3,1'-cyclopentane]-1-one.
What is the SMILES notation for spiro[2-benzofuran-3,1'-cyclopentane]-1-one?
The canonical SMILES for spiro[2-benzofuran-3,1'-cyclopentane]-1-one is O=C1OC2(CCCC2)c2ccccc21.
What is the InChIKey of spiro[2-benzofuran-3,1'-cyclopentane]-1-one?
The InChIKey is QKLSNEUUBSCPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c13-11-9-5-1-2-6-10(9)12(14-11)7-3-4-8-12/h1-2,5-6H,3-4,7-8H2.
What are the key properties of spiro[2-benzofuran-3,1'-cyclopentane]-1-one?
spiro[2-benzofuran-3,1'-cyclopentane]-1-one has a molecular weight of 188.23 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2-benzofuran-3,1'-cyclopentane]-1-one is sourced from PubChem (CID 3055899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).