diphenyl-[(2S,3R)-3-phenylpyrrolidin-2-yl]methanol

C23H23NO — CID 102038889

IUPACdiphenyl-[(2S,3R)-3-phenylpyrrolidin-2-yl]methanol
SMILESOC(c1ccccc1)(c1ccccc1)[C@H]1NCC[C@@H]1c1ccccc1
InChIInChI=1S/C23H23NO/c25-23(19-12-6-2-7-13-19,20-14-8-3-9-15-20)22-21(16-17-24-22)18-10-4-1-5-11-18/h1-15,21-22,24-25H,16-17H2/t21-,22+/m1/s1
InChIKeyURZNDQJMQKBSGZ-YADHBBJMSA-N
MW329.44 g/mol
LogP4.07
Rot. Bonds4

About diphenyl-[(2S,3R)-3-phenylpyrrolidin-2-yl]methanol

diphenyl-[(2S,3R)-3-phenylpyrrolidin-2-yl]methanol (PubChem CID 102038889) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is diphenyl-[(2S,3R)-3-phenylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Namediphenyl-[(2S,3R)-3-phenylpyrrolidin-2-yl]methanol
PubChem CID102038889
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC Namediphenyl-[(2S,3R)-3-phenylpyrrolidin-2-yl]methanol
SMILESOC(c1ccccc1)(c1ccccc1)[C@H]1NCC[C@@H]1c1ccccc1
InChIInChI=1S/C23H23NO/c25-23(19-12-6-2-7-13-19,20-14-8-3-9-15-20)22-21(16-17-24-22)18-10-4-1-5-11-18/h1-15,21-22,24-25H,16-17H2/t21-,22+/m1/s1
InChIKeyURZNDQJMQKBSGZ-YADHBBJMSA-N
XLogP4.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R,3S)-3-phenylpyrrolidin-2-yl]methanol
CID 98008478
alpha,alpha-Diphenyl-2-pyrrolidinemethanol borane
CID 19782534
(2S,3S)-3-phenylpyrrolidine-2-carboxylic acid;hydrochloride
CID 67353931
(2R,3R)-3-phenylpyrrolidine-2-carboxylic acid;hydrochloride
CID 131632798
2-phenyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 62718282
(2S,3R)-3-phenyl-2-propan-2-ylpyrrolidine
CID 124508929
2-ethyl-3-phenylpyrrolidine
CID 62354556
3-phenyl-2-propan-2-ylpyrrolidine
CID 64689457
2-azabicyclo[2.2.1]heptan-3-yl(diphenyl)methanol
CID 73192690
diphenyl(pyrazolidin-3-yl)methanol
CID 78349826
(2S,3R)-2-(2-methylpropyl)-3-phenylpyrrolidine
CID 101397686
(2S,3S)-2-(2-methylpropyl)-3-phenylpyrrolidine
CID 101397684

Frequently Asked Questions

What is the IUPAC name of diphenyl-[(2S,3R)-3-phenylpyrrolidin-2-yl]methanol?
The IUPAC name of diphenyl-[(2S,3R)-3-phenylpyrrolidin-2-yl]methanol (CID 102038889) is diphenyl-[(2S,3R)-3-phenylpyrrolidin-2-yl]methanol.
What is the SMILES notation for diphenyl-[(2S,3R)-3-phenylpyrrolidin-2-yl]methanol?
The canonical SMILES for diphenyl-[(2S,3R)-3-phenylpyrrolidin-2-yl]methanol is OC(c1ccccc1)(c1ccccc1)[C@H]1NCC[C@@H]1c1ccccc1.
What is the InChIKey of diphenyl-[(2S,3R)-3-phenylpyrrolidin-2-yl]methanol?
The InChIKey is URZNDQJMQKBSGZ-YADHBBJMSA-N. The full InChI is InChI=1S/C23H23NO/c25-23(19-12-6-2-7-13-19,20-14-8-3-9-15-20)22-21(16-17-24-22)18-10-4-1-5-11-18/h1-15,21-22,24-25H,16-17H2/t21-,22+/m1/s1.
What are the key properties of diphenyl-[(2S,3R)-3-phenylpyrrolidin-2-yl]methanol?
diphenyl-[(2S,3R)-3-phenylpyrrolidin-2-yl]methanol has a molecular weight of 329.44 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[(2S,3R)-3-phenylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102038889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).