ethyl (1S,1aS,6bR)-6b-methyl-1a-phenyl-1H-cyclopropa[b][1]benzofuran-1-carboxylate

C19H18O3 — CID 10891723

IUPACethyl (1S,1aS,6bR)-6b-methyl-1a-phenyl-1H-cyclopropa[b][1]benzofuran-1-carboxylate
SMILESCCOC(=O)[C@H]1[C@]2(C)c3ccccc3O[C@]12c1ccccc1
InChIInChI=1S/C19H18O3/c1-3-21-17(20)16-18(2)14-11-7-8-12-15(14)22-19(16,18)13-9-5-4-6-10-13/h4-12,16H,3H2,1-2H3/t16-,18-,19+/m0/s1
InChIKeyJUIWELJQLHXPOQ-YTQUADARSA-N
MW294.35 g/mol
LogP3.43
Rot. Bonds3

About ethyl (1S,1aS,6bR)-6b-methyl-1a-phenyl-1H-cyclopropa[b][1]benzofuran-1-carboxylate

ethyl (1S,1aS,6bR)-6b-methyl-1a-phenyl-1H-cyclopropa[b][1]benzofuran-1-carboxylate (PubChem CID 10891723) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is ethyl (1S,1aS,6bR)-6b-methyl-1a-phenyl-1H-cyclopropa[b][1]benzofuran-1-carboxylate.

Molecular Properties

Compound Nameethyl (1S,1aS,6bR)-6b-methyl-1a-phenyl-1H-cyclopropa[b][1]benzofuran-1-carboxylate
PubChem CID10891723
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Nameethyl (1S,1aS,6bR)-6b-methyl-1a-phenyl-1H-cyclopropa[b][1]benzofuran-1-carboxylate
SMILESCCOC(=O)[C@H]1[C@]2(C)c3ccccc3O[C@]12c1ccccc1
InChIInChI=1S/C19H18O3/c1-3-21-17(20)16-18(2)14-11-7-8-12-15(14)22-19(16,18)13-9-5-4-6-10-13/h4-12,16H,3H2,1-2H3/t16-,18-,19+/m0/s1
InChIKeyJUIWELJQLHXPOQ-YTQUADARSA-N
XLogP3.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl (1S,1aS,6bR)-6b-methyl-1a-phenyl-1H-cyclopropa[b][1]benzofuran-1-carboxylate with MolForge

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Related Compounds

ethyl (2S,3R)-3-hydroxy-3-methyl-2H-1-benzofuran-2-carboxylate
CID 15643807
ethyl (1R,5S,7S)-8,8-dimethyl-3-oxo-1-phenyl-2-oxa-6-azabicyclo[3.2.1]octane-7-carboxylate
CID 11833604
ethyl 2,2-dimethylspiro[3H-chromene-4,3'-oxirane]-2'-carboxylate
CID 81136584
methyl (1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-3,3a-diphenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate
CID 6636247
diethyl (1R,2S,3R,4S)-3,4-diphenylcyclobutane-1,2-dicarboxylate
CID 15261796
ethyl (4S)-4-ethenyl-2-hydroxy-4-methyl-2-phenyloxolane-3-carboxylate
CID 135054570
ethyl 4H-chromene-4-carboxylate
CID 91620312
ethyl (1aR,7bS)-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-1-carboxylate
CID 67048066
ethyl 2-methyl-2-phenyl-3-trimethylsilyloxycyclopropane-1-carboxylate
CID 12859642
ethyl 2,2-dimethylspiro[cyclopropane-3,1'-indene]-1-carboxylate
CID 6455154
diethyl (2R,3S)-2-phenyloxirane-2,3-dicarboxylate
CID 132536299
ethyl 2-oxo-3H-1-benzofuran-3-carboxylate
CID 12858903

Frequently Asked Questions

What is the IUPAC name of ethyl (1S,1aS,6bR)-6b-methyl-1a-phenyl-1H-cyclopropa[b][1]benzofuran-1-carboxylate?
The IUPAC name of ethyl (1S,1aS,6bR)-6b-methyl-1a-phenyl-1H-cyclopropa[b][1]benzofuran-1-carboxylate (CID 10891723) is ethyl (1S,1aS,6bR)-6b-methyl-1a-phenyl-1H-cyclopropa[b][1]benzofuran-1-carboxylate.
What is the SMILES notation for ethyl (1S,1aS,6bR)-6b-methyl-1a-phenyl-1H-cyclopropa[b][1]benzofuran-1-carboxylate?
The canonical SMILES for ethyl (1S,1aS,6bR)-6b-methyl-1a-phenyl-1H-cyclopropa[b][1]benzofuran-1-carboxylate is CCOC(=O)[C@H]1[C@]2(C)c3ccccc3O[C@]12c1ccccc1.
What is the InChIKey of ethyl (1S,1aS,6bR)-6b-methyl-1a-phenyl-1H-cyclopropa[b][1]benzofuran-1-carboxylate?
The InChIKey is JUIWELJQLHXPOQ-YTQUADARSA-N. The full InChI is InChI=1S/C19H18O3/c1-3-21-17(20)16-18(2)14-11-7-8-12-15(14)22-19(16,18)13-9-5-4-6-10-13/h4-12,16H,3H2,1-2H3/t16-,18-,19+/m0/s1.
What are the key properties of ethyl (1S,1aS,6bR)-6b-methyl-1a-phenyl-1H-cyclopropa[b][1]benzofuran-1-carboxylate?
ethyl (1S,1aS,6bR)-6b-methyl-1a-phenyl-1H-cyclopropa[b][1]benzofuran-1-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1S,1aS,6bR)-6b-methyl-1a-phenyl-1H-cyclopropa[b][1]benzofuran-1-carboxylate is sourced from PubChem (CID 10891723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).