ethyl (1R,1aR,6bS)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate

C12H12O3 — CID 154708511

IUPACethyl (1R,1aR,6bS)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate
SMILESCCOC(=O)[C@H]1[C@@H]2Oc3ccccc3[C@@H]21
InChIInChI=1S/C12H12O3/c1-2-14-12(13)10-9-7-5-3-4-6-8(7)15-11(9)10/h3-6,9-11H,2H2,1H3/t9-,10-,11-/m1/s1
InChIKeyJMZRJQJOBJYRGN-GMTAPVOTSA-N
MW204.22 g/mol
LogP1.72
Rot. Bonds2

About ethyl (1R,1aR,6bS)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate

ethyl (1R,1aR,6bS)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate (PubChem CID 154708511) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is ethyl (1R,1aR,6bS)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate.

Molecular Properties

Compound Nameethyl (1R,1aR,6bS)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate
PubChem CID154708511
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Nameethyl (1R,1aR,6bS)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate
SMILESCCOC(=O)[C@H]1[C@@H]2Oc3ccccc3[C@@H]21
InChIInChI=1S/C12H12O3/c1-2-14-12(13)10-9-7-5-3-4-6-8(7)15-11(9)10/h3-6,9-11H,2H2,1H3/t9-,10-,11-/m1/s1
InChIKeyJMZRJQJOBJYRGN-GMTAPVOTSA-N
XLogP1.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (1R,1aR,6bS)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate?
The IUPAC name of ethyl (1R,1aR,6bS)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate (CID 154708511) is ethyl (1R,1aR,6bS)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate.
What is the SMILES notation for ethyl (1R,1aR,6bS)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate?
The canonical SMILES for ethyl (1R,1aR,6bS)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate is CCOC(=O)[C@H]1[C@@H]2Oc3ccccc3[C@@H]21.
What is the InChIKey of ethyl (1R,1aR,6bS)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate?
The InChIKey is JMZRJQJOBJYRGN-GMTAPVOTSA-N. The full InChI is InChI=1S/C12H12O3/c1-2-14-12(13)10-9-7-5-3-4-6-8(7)15-11(9)10/h3-6,9-11H,2H2,1H3/t9-,10-,11-/m1/s1.
What are the key properties of ethyl (1R,1aR,6bS)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate?
ethyl (1R,1aR,6bS)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate has a molecular weight of 204.22 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R,1aR,6bS)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate is sourced from PubChem (CID 154708511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).