(2R,3R,4R)-2-(hydroxymethyl)-4-phenylmethoxy-1-(2-phenylmethoxyethyl)pyrrolidin-3-ol

C21H27NO4 — CID 53230988

IUPAC(2R,3R,4R)-2-(hydroxymethyl)-4-phenylmethoxy-1-(2-phenylmethoxyethyl)pyrrolidin-3-ol
SMILESOC[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)CN1CCOCc1ccccc1
InChIInChI=1S/C21H27NO4/c23-14-19-21(24)20(26-16-18-9-5-2-6-10-18)13-22(19)11-12-25-15-17-7-3-1-4-8-17/h1-10,19-21,23-24H,11-16H2/t19-,20-,21-/m1/s1
InChIKeyLHPDIUPMOZGTJW-NJDAHSKKSA-N
MW357.45 g/mol
LogP1.83
Rot. Bonds9

About (2R,3R,4R)-2-(hydroxymethyl)-4-phenylmethoxy-1-(2-phenylmethoxyethyl)pyrrolidin-3-ol

(2R,3R,4R)-2-(hydroxymethyl)-4-phenylmethoxy-1-(2-phenylmethoxyethyl)pyrrolidin-3-ol (PubChem CID 53230988) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is (2R,3R,4R)-2-(hydroxymethyl)-4-phenylmethoxy-1-(2-phenylmethoxyethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(2R,3R,4R)-2-(hydroxymethyl)-4-phenylmethoxy-1-(2-phenylmethoxyethyl)pyrrolidin-3-ol
PubChem CID53230988
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC Name(2R,3R,4R)-2-(hydroxymethyl)-4-phenylmethoxy-1-(2-phenylmethoxyethyl)pyrrolidin-3-ol
SMILESOC[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)CN1CCOCc1ccccc1
InChIInChI=1S/C21H27NO4/c23-14-19-21(24)20(26-16-18-9-5-2-6-10-18)13-22(19)11-12-25-15-17-7-3-1-4-8-17/h1-10,19-21,23-24H,11-16H2/t19-,20-,21-/m1/s1
InChIKeyLHPDIUPMOZGTJW-NJDAHSKKSA-N
XLogP1.83
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R,3R,4R)-2-(hydroxymethyl)-4-phenylmethoxy-1-(2-phenylmethoxyethyl)pyrrolidin-3-ol with MolForge

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

Launch Full Analysis

Related Compounds

1-butyl-2-(hydroxymethyl)-5-phenylmethoxypiperidine-3,4-diol
CID 175678790
(3R,4R)-1-butyl-5-phenylmethoxy-2-(phenylmethoxymethyl)piperidine-3,4-diol
CID 169438097
2-[3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidin-1-yl]ethanol
CID 45357835
(2S,3R,5S)-2-(hydroxymethyl)-1-[5-[(4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol
CID 118411139
(2S,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[(3-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol
CID 118720306
[(2R,3R,4S,5S)-3,4,5-tris(phenylmethoxy)-1-prop-2-enylpiperidin-2-yl]methanol
CID 11754618
(2S,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-1-propylpiperidine
CID 158056733
3-(hydroxymethyl)-1-(2-phenylmethoxyethyl)azetidin-2-one
CID 135122861
(3R,4S,5S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-1-(6-trimethylsilylhexyl)piperidin-3-ol
CID 173332644
(1S,2S,3S,5R)-3-(hydroxymethyl)-5-phenylmethoxycyclopentane-1,2-diol
CID 125479341
(3R,4S,5S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-1-(trimethylsilylmethyl)piperidin-3-ol
CID 173332615
(3S,4R,5R,6R)-1-benzyl-6-(hydroxymethyl)-5-phenylmethoxypiperidine-3,4-diol
CID 45101725

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2-(hydroxymethyl)-4-phenylmethoxy-1-(2-phenylmethoxyethyl)pyrrolidin-3-ol?
The IUPAC name of (2R,3R,4R)-2-(hydroxymethyl)-4-phenylmethoxy-1-(2-phenylmethoxyethyl)pyrrolidin-3-ol (CID 53230988) is (2R,3R,4R)-2-(hydroxymethyl)-4-phenylmethoxy-1-(2-phenylmethoxyethyl)pyrrolidin-3-ol.
What is the SMILES notation for (2R,3R,4R)-2-(hydroxymethyl)-4-phenylmethoxy-1-(2-phenylmethoxyethyl)pyrrolidin-3-ol?
The canonical SMILES for (2R,3R,4R)-2-(hydroxymethyl)-4-phenylmethoxy-1-(2-phenylmethoxyethyl)pyrrolidin-3-ol is OC[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)CN1CCOCc1ccccc1.
What is the InChIKey of (2R,3R,4R)-2-(hydroxymethyl)-4-phenylmethoxy-1-(2-phenylmethoxyethyl)pyrrolidin-3-ol?
The InChIKey is LHPDIUPMOZGTJW-NJDAHSKKSA-N. The full InChI is InChI=1S/C21H27NO4/c23-14-19-21(24)20(26-16-18-9-5-2-6-10-18)13-22(19)11-12-25-15-17-7-3-1-4-8-17/h1-10,19-21,23-24H,11-16H2/t19-,20-,21-/m1/s1.
What are the key properties of (2R,3R,4R)-2-(hydroxymethyl)-4-phenylmethoxy-1-(2-phenylmethoxyethyl)pyrrolidin-3-ol?
(2R,3R,4R)-2-(hydroxymethyl)-4-phenylmethoxy-1-(2-phenylmethoxyethyl)pyrrolidin-3-ol has a molecular weight of 357.45 g/mol, XLogP of 1.83, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-2-(hydroxymethyl)-4-phenylmethoxy-1-(2-phenylmethoxyethyl)pyrrolidin-3-ol is sourced from PubChem (CID 53230988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).