benzyl (5R)-4-oxospiro[6,7-dihydro-1-benzofuran-5,4'-cyclopentene]-1'-carboxylate

C20H18O4 — CID 134940243

IUPACbenzyl (5R)-4-oxospiro[6,7-dihydro-1-benzofuran-5,4'-cyclopentene]-1'-carboxylate
SMILESO=C(OCc1ccccc1)C1=CC[C@]2(CCc3occc3C2=O)C1
InChIInChI=1S/C20H18O4/c21-18-16-8-11-23-17(16)7-10-20(18)9-6-15(12-20)19(22)24-13-14-4-2-1-3-5-14/h1-6,8,11H,7,9-10,12-13H2/t20-/m0/s1
InChIKeyJBLFNMIRZRSOIM-FQEVSTJZSA-N
MW322.36 g/mol
LogP3.86
Rot. Bonds3

About benzyl (5R)-4-oxospiro[6,7-dihydro-1-benzofuran-5,4'-cyclopentene]-1'-carboxylate

benzyl (5R)-4-oxospiro[6,7-dihydro-1-benzofuran-5,4'-cyclopentene]-1'-carboxylate (PubChem CID 134940243) has the molecular formula C20H18O4 and a molecular weight of 322.36 g/mol. Its IUPAC name is benzyl (5R)-4-oxospiro[6,7-dihydro-1-benzofuran-5,4'-cyclopentene]-1'-carboxylate.

Molecular Properties

Compound Namebenzyl (5R)-4-oxospiro[6,7-dihydro-1-benzofuran-5,4'-cyclopentene]-1'-carboxylate
PubChem CID134940243
Molecular FormulaC20H18O4
Molecular Weight322.36 g/mol
Exact Mass322.12
IUPAC Namebenzyl (5R)-4-oxospiro[6,7-dihydro-1-benzofuran-5,4'-cyclopentene]-1'-carboxylate
SMILESO=C(OCc1ccccc1)C1=CC[C@]2(CCc3occc3C2=O)C1
InChIInChI=1S/C20H18O4/c21-18-16-8-11-23-17(16)7-10-20(18)9-6-15(12-20)19(22)24-13-14-4-2-1-3-5-14/h1-6,8,11H,7,9-10,12-13H2/t20-/m0/s1
InChIKeyJBLFNMIRZRSOIM-FQEVSTJZSA-N
XLogP3.86
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

spiro[6,7-dihydro-1-benzofuran-5,1'-cyclobutane]-4-one
CID 112714431
benzyl (5R)-3-tert-butyl-1-(4-methylphenyl)-4-oxo-2,3-diazaspiro[4.4]nona-1,7-diene-8-carboxylate
CID 102362248
benzyl 2-hydroxy-2-(1-hydroxycyclopropyl)acetate
CID 130367556
benzyl cyclohexa-1,3-diene-1-carboxylate
CID 53440373
benzyl benzoate
CID 2345
benzyl 4-oxospiro[2,3-dihydronaphthalene-1,4'-piperidine]-1'-carboxylate
CID 178067886
benzyl 4-(1,3-diphenylpropan-2-ylidene)cyclopentene-1-carboxylate
CID 132543741
benzyl 2,5-dioxocyclopentane-1-carboxylate
CID 59459130
benzyl (1R)-1-hydroxy-3-oxocyclohexane-1-carboxylate
CID 10824432
benzyl (4,4-diaminocyclohexa-1,5-dien-1-yl)methyl carbonate
CID 141196202
benzyl (2E)-2-chloro-2-spiro[2.2]pentan-2-ylideneacetate
CID 10848192
5-(6-phenylhexyl)-6,7-dihydrofuro[3,2-c]pyridin-4-one
CID 19600108

Frequently Asked Questions

What is the IUPAC name of benzyl (5R)-4-oxospiro[6,7-dihydro-1-benzofuran-5,4'-cyclopentene]-1'-carboxylate?
The IUPAC name of benzyl (5R)-4-oxospiro[6,7-dihydro-1-benzofuran-5,4'-cyclopentene]-1'-carboxylate (CID 134940243) is benzyl (5R)-4-oxospiro[6,7-dihydro-1-benzofuran-5,4'-cyclopentene]-1'-carboxylate.
What is the SMILES notation for benzyl (5R)-4-oxospiro[6,7-dihydro-1-benzofuran-5,4'-cyclopentene]-1'-carboxylate?
The canonical SMILES for benzyl (5R)-4-oxospiro[6,7-dihydro-1-benzofuran-5,4'-cyclopentene]-1'-carboxylate is O=C(OCc1ccccc1)C1=CC[C@]2(CCc3occc3C2=O)C1.
What is the InChIKey of benzyl (5R)-4-oxospiro[6,7-dihydro-1-benzofuran-5,4'-cyclopentene]-1'-carboxylate?
The InChIKey is JBLFNMIRZRSOIM-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H18O4/c21-18-16-8-11-23-17(16)7-10-20(18)9-6-15(12-20)19(22)24-13-14-4-2-1-3-5-14/h1-6,8,11H,7,9-10,12-13H2/t20-/m0/s1.
What are the key properties of benzyl (5R)-4-oxospiro[6,7-dihydro-1-benzofuran-5,4'-cyclopentene]-1'-carboxylate?
benzyl (5R)-4-oxospiro[6,7-dihydro-1-benzofuran-5,4'-cyclopentene]-1'-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (5R)-4-oxospiro[6,7-dihydro-1-benzofuran-5,4'-cyclopentene]-1'-carboxylate is sourced from PubChem (CID 134940243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).