ethyl (1'R,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate

C14H16O3 — CID 58379899

IUPACethyl (1'R,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@]12CCc1ccc(O)cc12
InChIInChI=1S/C14H16O3/c1-2-17-13(16)12-8-14(12)6-5-9-3-4-10(15)7-11(9)14/h3-4,7,12,15H,2,5-6,8H2,1H3/t12-,14-/m0/s1
InChIKeyVKXDSZNMXFXRNQ-JSGCOSHPSA-N
MW232.28 g/mol
LogP2.16
Rot. Bonds2

About ethyl (1'R,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate

ethyl (1'R,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate (PubChem CID 58379899) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is ethyl (1'R,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate.

Molecular Properties

Compound Nameethyl (1'R,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate
PubChem CID58379899
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Nameethyl (1'R,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@]12CCc1ccc(O)cc12
InChIInChI=1S/C14H16O3/c1-2-17-13(16)12-8-14(12)6-5-9-3-4-10(15)7-11(9)14/h3-4,7,12,15H,2,5-6,8H2,1H3/t12-,14-/m0/s1
InChIKeyVKXDSZNMXFXRNQ-JSGCOSHPSA-N
XLogP2.16
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (1'R,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate?
The IUPAC name of ethyl (1'R,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate (CID 58379899) is ethyl (1'R,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate.
What is the SMILES notation for ethyl (1'R,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate?
The canonical SMILES for ethyl (1'R,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate is CCOC(=O)[C@@H]1C[C@]12CCc1ccc(O)cc12.
What is the InChIKey of ethyl (1'R,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate?
The InChIKey is VKXDSZNMXFXRNQ-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H16O3/c1-2-17-13(16)12-8-14(12)6-5-9-3-4-10(15)7-11(9)14/h3-4,7,12,15H,2,5-6,8H2,1H3/t12-,14-/m0/s1.
What are the key properties of ethyl (1'R,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate?
ethyl (1'R,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate has a molecular weight of 232.28 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1'R,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate is sourced from PubChem (CID 58379899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).