methyl (1'S,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-carboxylate

C14H16O3 — CID 58379866

IUPACmethyl (1'S,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-carboxylate
SMILESCOC(=O)[C@H]1CC[C@@]12CCc1ccc(O)cc12
InChIInChI=1S/C14H16O3/c1-17-13(16)11-5-7-14(11)6-4-9-2-3-10(15)8-12(9)14/h2-3,8,11,15H,4-7H2,1H3/t11-,14+/m1/s1
InChIKeyILUAQNVJNQWLNT-RISCZKNCSA-N
MW232.28 g/mol
LogP2.16
Rot. Bonds1

About methyl (1'S,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-carboxylate

methyl (1'S,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-carboxylate (PubChem CID 58379866) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is methyl (1'S,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-carboxylate.

Molecular Properties

Compound Namemethyl (1'S,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-carboxylate
PubChem CID58379866
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Namemethyl (1'S,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-carboxylate
SMILESCOC(=O)[C@H]1CC[C@@]12CCc1ccc(O)cc12
InChIInChI=1S/C14H16O3/c1-17-13(16)11-5-7-14(11)6-4-9-2-3-10(15)8-12(9)14/h2-3,8,11,15H,4-7H2,1H3/t11-,14+/m1/s1
InChIKeyILUAQNVJNQWLNT-RISCZKNCSA-N
XLogP2.16
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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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Related Compounds

methyl (1'S)-6-hydroxyspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-carboxylate
CID 143977583
methyl (1'R,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate
CID 58379700
methyl (1'S,5R)-3-hydroxyspiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,2'-cyclopropane]-1'-carboxylate
CID 143977595
(2'S,3R)-2'-methylspiro[1,2-dihydroindene-3,1'-cyclobutane]-5-ol
CID 143977501
ethyl (1'R,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate
CID 58379899
(2'R,3R)-2'-methylspiro[1,2-dihydroindene-3,1'-cyclopropane]-5-ol
CID 89082538
methanol;2'-methylspiro[1,2-dihydroindene-3,1'-cyclopropane]-5-ol
CID 143977527
methyl (1'S,4R)-6-hydroxyspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate
CID 58379982
methyl (1'S,4S)-6-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methylphenyl)phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-carboxylate;methyl (1'R,4S)-6-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methylphenyl)phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-carboxylate;methyl (1'S,4R)-6-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methylphenyl)phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-carboxylate;methyl (1'R,4R)-6-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methylphenyl)phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-carboxylate;methyl (1'S,4S)-6-hydroxyspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-carboxylate;methyl (1'R,4S)-6-hydroxyspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-carboxylate;methyl (1'S,4R)-6-hydroxyspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-carboxylate;methyl (1'R,4R)-6-hydroxyspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-carboxylate;molecular hydrogen
CID 157415142
(1'S,3S)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-carbonitrile
CID 58379907
methyl (4S)-7-methylidenespiro[2.4]heptane-4-carboxylate
CID 639206
methyl 6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
CID 611699

Frequently Asked Questions

What is the IUPAC name of methyl (1'S,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-carboxylate?
The IUPAC name of methyl (1'S,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-carboxylate (CID 58379866) is methyl (1'S,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-carboxylate.
What is the SMILES notation for methyl (1'S,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-carboxylate?
The canonical SMILES for methyl (1'S,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-carboxylate is COC(=O)[C@H]1CC[C@@]12CCc1ccc(O)cc12.
What is the InChIKey of methyl (1'S,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-carboxylate?
The InChIKey is ILUAQNVJNQWLNT-RISCZKNCSA-N. The full InChI is InChI=1S/C14H16O3/c1-17-13(16)11-5-7-14(11)6-4-9-2-3-10(15)8-12(9)14/h2-3,8,11,15H,4-7H2,1H3/t11-,14+/m1/s1.
What are the key properties of methyl (1'S,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-carboxylate?
methyl (1'S,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-carboxylate has a molecular weight of 232.28 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1'S,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-carboxylate is sourced from PubChem (CID 58379866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).