methyl (1S,2S,4S,5R)-2-hydroxy-4-naphthalen-2-yl-2,5-diphenylcyclopentane-1-carboxylate

C29H26O3 — CID 101480183

IUPACmethyl (1S,2S,4S,5R)-2-hydroxy-4-naphthalen-2-yl-2,5-diphenylcyclopentane-1-carboxylate
SMILESCOC(=O)[C@H]1[C@H](c2ccccc2)[C@@H](c2ccc3ccccc3c2)C[C@@]1(O)c1ccccc1
InChIInChI=1S/C29H26O3/c1-32-28(30)27-26(21-11-4-2-5-12-21)25(19-29(27,31)24-14-6-3-7-15-24)23-17-16-20-10-8-9-13-22(20)18-23/h2-18,25-27,31H,19H2,1H3/t25-,26-,27-,29-/m1/s1
InChIKeyJPOSPJJBXBJLQT-LTGLEFCMSA-N
MW422.52 g/mol
LogP5.79
Rot. Bonds4

About methyl (1S,2S,4S,5R)-2-hydroxy-4-naphthalen-2-yl-2,5-diphenylcyclopentane-1-carboxylate

methyl (1S,2S,4S,5R)-2-hydroxy-4-naphthalen-2-yl-2,5-diphenylcyclopentane-1-carboxylate (PubChem CID 101480183) has the molecular formula C29H26O3 and a molecular weight of 422.52 g/mol. Its IUPAC name is methyl (1S,2S,4S,5R)-2-hydroxy-4-naphthalen-2-yl-2,5-diphenylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1S,2S,4S,5R)-2-hydroxy-4-naphthalen-2-yl-2,5-diphenylcyclopentane-1-carboxylate
PubChem CID101480183
Molecular FormulaC29H26O3
Molecular Weight422.52 g/mol
Exact Mass422.19
IUPAC Namemethyl (1S,2S,4S,5R)-2-hydroxy-4-naphthalen-2-yl-2,5-diphenylcyclopentane-1-carboxylate
SMILESCOC(=O)[C@H]1[C@H](c2ccccc2)[C@@H](c2ccc3ccccc3c2)C[C@@]1(O)c1ccccc1
InChIInChI=1S/C29H26O3/c1-32-28(30)27-26(21-11-4-2-5-12-21)25(19-29(27,31)24-14-6-3-7-15-24)23-17-16-20-10-8-9-13-22(20)18-23/h2-18,25-27,31H,19H2,1H3/t25-,26-,27-,29-/m1/s1
InChIKeyJPOSPJJBXBJLQT-LTGLEFCMSA-N
XLogP5.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.52
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (1S,2S,4S,5R)-2-hydroxy-4-naphthalen-2-yl-2,5-diphenylcyclopentane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (1S,2S,4S,5R)-2-hydroxy-4-naphthalen-2-yl-2,5-diphenylcyclopentane-1-carboxylate?
The IUPAC name of methyl (1S,2S,4S,5R)-2-hydroxy-4-naphthalen-2-yl-2,5-diphenylcyclopentane-1-carboxylate (CID 101480183) is methyl (1S,2S,4S,5R)-2-hydroxy-4-naphthalen-2-yl-2,5-diphenylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1S,2S,4S,5R)-2-hydroxy-4-naphthalen-2-yl-2,5-diphenylcyclopentane-1-carboxylate?
The canonical SMILES for methyl (1S,2S,4S,5R)-2-hydroxy-4-naphthalen-2-yl-2,5-diphenylcyclopentane-1-carboxylate is COC(=O)[C@H]1[C@H](c2ccccc2)[C@@H](c2ccc3ccccc3c2)C[C@@]1(O)c1ccccc1.
What is the InChIKey of methyl (1S,2S,4S,5R)-2-hydroxy-4-naphthalen-2-yl-2,5-diphenylcyclopentane-1-carboxylate?
The InChIKey is JPOSPJJBXBJLQT-LTGLEFCMSA-N. The full InChI is InChI=1S/C29H26O3/c1-32-28(30)27-26(21-11-4-2-5-12-21)25(19-29(27,31)24-14-6-3-7-15-24)23-17-16-20-10-8-9-13-22(20)18-23/h2-18,25-27,31H,19H2,1H3/t25-,26-,27-,29-/m1/s1.
What are the key properties of methyl (1S,2S,4S,5R)-2-hydroxy-4-naphthalen-2-yl-2,5-diphenylcyclopentane-1-carboxylate?
methyl (1S,2S,4S,5R)-2-hydroxy-4-naphthalen-2-yl-2,5-diphenylcyclopentane-1-carboxylate has a molecular weight of 422.52 g/mol, XLogP of 5.79, 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-4-naphthalen-2-yl-2,5-diphenylcyclopentane-1-carboxylate is sourced from PubChem (CID 101480183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).