[(5S)-5-tricyclo[5.2.0.01,3]nonanyl] 2-hydroxy-2,2-diphenylacetate

C23H24O3 — CID 146971372

IUPAC[(5S)-5-tricyclo[5.2.0.01,3]nonanyl] 2-hydroxy-2,2-diphenylacetate
SMILESO=C(O[C@H]1CC2CCC23CC3C1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24O3/c24-21(26-20-13-18-11-12-22(18)15-19(22)14-20)23(25,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18-20,25H,11-15H2/t18?,19?,20-,22?/m0/s1
InChIKeyAMMIRXFRNFUBGE-LJYGWVNYSA-N
MW348.44 g/mol
LogP4.04
Rot. Bonds4

About [(5S)-5-tricyclo[5.2.0.01,3]nonanyl] 2-hydroxy-2,2-diphenylacetate

[(5S)-5-tricyclo[5.2.0.01,3]nonanyl] 2-hydroxy-2,2-diphenylacetate (PubChem CID 146971372) has the molecular formula C23H24O3 and a molecular weight of 348.44 g/mol. Its IUPAC name is [(5S)-5-tricyclo[5.2.0.01,3]nonanyl] 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Name[(5S)-5-tricyclo[5.2.0.01,3]nonanyl] 2-hydroxy-2,2-diphenylacetate
PubChem CID146971372
Molecular FormulaC23H24O3
Molecular Weight348.44 g/mol
Exact Mass348.17
IUPAC Name[(5S)-5-tricyclo[5.2.0.01,3]nonanyl] 2-hydroxy-2,2-diphenylacetate
SMILESO=C(O[C@H]1CC2CCC23CC3C1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24O3/c24-21(26-20-13-18-11-12-22(18)15-19(22)14-20)23(25,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18-20,25H,11-15H2/t18?,19?,20-,22?/m0/s1
InChIKeyAMMIRXFRNFUBGE-LJYGWVNYSA-N
XLogP4.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(5S)-5-tricyclo[5.2.0.01,3]nonanyl] 2-hydroxy-2,2-diphenylacetate with MolForge

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Related Compounds

[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2S)-2-hydroxy-2-phenylacetate
CID 13005497
[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2R)-2-hydroxy-2-phenylacetate
CID 13005499
(3-(111C)methylcyclohexyl) 2-hydroxy-2,2-diphenylacetate
CID 450839
Spiro[bicyclo[3.2.1]octane-8,1'-cyclopentane]-3-yl 2-hydroxy-2,2-diphenylacetate
CID 90003609
cyclohexyl (2R)-2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 141311335
(3,6-Dimethylcycloheptyl) 2-hydroxy-2,2-diphenylacetate
CID 144214675
9-bicyclo[3.3.1]nonanyl (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 149172489
Cyclopropyl 2-hydroxy-2,2-diphenylacetate
CID 174524037
Cyclohexylmethyl 2-hydroxy-2,2-diphenylacetate
CID 7191546
[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E,2R)-2-hydroxy-2-phenyloct-3-enoate
CID 11293830
Cyclohexyl 2-hydroxy-2,2-diphenylacetate
CID 66524160
[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-hydroxy-2-phenylacetate
CID 101928184

Frequently Asked Questions

What is the IUPAC name of [(5S)-5-tricyclo[5.2.0.01,3]nonanyl] 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of [(5S)-5-tricyclo[5.2.0.01,3]nonanyl] 2-hydroxy-2,2-diphenylacetate (CID 146971372) is [(5S)-5-tricyclo[5.2.0.01,3]nonanyl] 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for [(5S)-5-tricyclo[5.2.0.01,3]nonanyl] 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for [(5S)-5-tricyclo[5.2.0.01,3]nonanyl] 2-hydroxy-2,2-diphenylacetate is O=C(O[C@H]1CC2CCC23CC3C1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(5S)-5-tricyclo[5.2.0.01,3]nonanyl] 2-hydroxy-2,2-diphenylacetate?
The InChIKey is AMMIRXFRNFUBGE-LJYGWVNYSA-N. The full InChI is InChI=1S/C23H24O3/c24-21(26-20-13-18-11-12-22(18)15-19(22)14-20)23(25,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18-20,25H,11-15H2/t18?,19?,20-,22?/m0/s1.
What are the key properties of [(5S)-5-tricyclo[5.2.0.01,3]nonanyl] 2-hydroxy-2,2-diphenylacetate?
[(5S)-5-tricyclo[5.2.0.01,3]nonanyl] 2-hydroxy-2,2-diphenylacetate has a molecular weight of 348.44 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-5-tricyclo[5.2.0.01,3]nonanyl] 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 146971372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).