methyl (1S,2S,4S,5R)-2-hydroxy-2,4,5-triphenylcyclopentane-1-carboxylate

C25H24O3 — CID 101480182

IUPACmethyl (1S,2S,4S,5R)-2-hydroxy-2,4,5-triphenylcyclopentane-1-carboxylate
SMILESCOC(=O)[C@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)C[C@@]1(O)c1ccccc1
InChIInChI=1S/C25H24O3/c1-28-24(26)23-22(19-13-7-3-8-14-19)21(18-11-5-2-6-12-18)17-25(23,27)20-15-9-4-10-16-20/h2-16,21-23,27H,17H2,1H3/t21-,22-,23-,25-/m1/s1
InChIKeyRVRYYPYPZIGUKF-VWBWNGLSSA-N
MW372.46 g/mol
LogP4.63
Rot. Bonds4

About methyl (1S,2S,4S,5R)-2-hydroxy-2,4,5-triphenylcyclopentane-1-carboxylate

methyl (1S,2S,4S,5R)-2-hydroxy-2,4,5-triphenylcyclopentane-1-carboxylate (PubChem CID 101480182) has the molecular formula C25H24O3 and a molecular weight of 372.46 g/mol. Its IUPAC name is methyl (1S,2S,4S,5R)-2-hydroxy-2,4,5-triphenylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1S,2S,4S,5R)-2-hydroxy-2,4,5-triphenylcyclopentane-1-carboxylate
PubChem CID101480182
Molecular FormulaC25H24O3
Molecular Weight372.46 g/mol
Exact Mass372.17
IUPAC Namemethyl (1S,2S,4S,5R)-2-hydroxy-2,4,5-triphenylcyclopentane-1-carboxylate
SMILESCOC(=O)[C@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)C[C@@]1(O)c1ccccc1
InChIInChI=1S/C25H24O3/c1-28-24(26)23-22(19-13-7-3-8-14-19)21(18-11-5-2-6-12-18)17-25(23,27)20-15-9-4-10-16-20/h2-16,21-23,27H,17H2,1H3/t21-,22-,23-,25-/m1/s1
InChIKeyRVRYYPYPZIGUKF-VWBWNGLSSA-N
XLogP4.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (1S,2S,4S,5R)-2-hydroxy-2,4,5-triphenylcyclopentane-1-carboxylate?
The IUPAC name of methyl (1S,2S,4S,5R)-2-hydroxy-2,4,5-triphenylcyclopentane-1-carboxylate (CID 101480182) is methyl (1S,2S,4S,5R)-2-hydroxy-2,4,5-triphenylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1S,2S,4S,5R)-2-hydroxy-2,4,5-triphenylcyclopentane-1-carboxylate?
The canonical SMILES for methyl (1S,2S,4S,5R)-2-hydroxy-2,4,5-triphenylcyclopentane-1-carboxylate is COC(=O)[C@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)C[C@@]1(O)c1ccccc1.
What is the InChIKey of methyl (1S,2S,4S,5R)-2-hydroxy-2,4,5-triphenylcyclopentane-1-carboxylate?
The InChIKey is RVRYYPYPZIGUKF-VWBWNGLSSA-N. The full InChI is InChI=1S/C25H24O3/c1-28-24(26)23-22(19-13-7-3-8-14-19)21(18-11-5-2-6-12-18)17-25(23,27)20-15-9-4-10-16-20/h2-16,21-23,27H,17H2,1H3/t21-,22-,23-,25-/m1/s1.
What are the key properties of methyl (1S,2S,4S,5R)-2-hydroxy-2,4,5-triphenylcyclopentane-1-carboxylate?
methyl (1S,2S,4S,5R)-2-hydroxy-2,4,5-triphenylcyclopentane-1-carboxylate has a molecular weight of 372.46 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,2S,4S,5R)-2-hydroxy-2,4,5-triphenylcyclopentane-1-carboxylate is sourced from PubChem (CID 101480182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).