2,2-diphenyl-1-[(2S)-pyrrolidin-2-yl]ethanol

C18H21NO — CID 68647594

IUPAC2,2-diphenyl-1-[(2S)-pyrrolidin-2-yl]ethanol
SMILESOC(C(c1ccccc1)c1ccccc1)[C@@H]1CCCN1
InChIInChI=1S/C18H21NO/c20-18(16-12-7-13-19-16)17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16-20H,7,12-13H2/t16-,18?/m0/s1
InChIKeyVSYNDOLFWJVQNK-ATNAJCNCSA-N
MW267.37 g/mol
LogP2.93
Rot. Bonds4

About 2,2-diphenyl-1-[(2S)-pyrrolidin-2-yl]ethanol

2,2-diphenyl-1-[(2S)-pyrrolidin-2-yl]ethanol (PubChem CID 68647594) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2,2-diphenyl-1-[(2S)-pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name2,2-diphenyl-1-[(2S)-pyrrolidin-2-yl]ethanol
PubChem CID68647594
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2,2-diphenyl-1-[(2S)-pyrrolidin-2-yl]ethanol
SMILESOC(C(c1ccccc1)c1ccccc1)[C@@H]1CCCN1
InChIInChI=1S/C18H21NO/c20-18(16-12-7-13-19-16)17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16-20H,7,12-13H2/t16-,18?/m0/s1
InChIKeyVSYNDOLFWJVQNK-ATNAJCNCSA-N
XLogP2.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diphenyl-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 118229705
2,2-diphenyl-1-pyrrolidin-2-ylethanol
CID 69294076
2-(2-fluorophenyl)-2-phenyl-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 134282165
phenyl-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride
CID 68687169
(2R)-2-[(1R)-1-phenylethyl]pyrrolidine
CID 95732426
1,1,5,5-tetraphenyl-2,4-di(piperidin-2-yl)pentan-3-one;hydrochloride
CID 174956576
(2R)-2-[(1R)-1-phenylpropyl]pyrrolidine
CID 7047901
(1R)-N-methyl-1-phenyl-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 132599012
(2R)-2-[(1S)-1-phenylpropyl]pyrrolidine
CID 7047899
(2S)-2-[(1R)-1-phenylpropyl]pyrrolidine
CID 7047905
2-(1-phenylpropyl)pyrrolidine;hydrochloride
CID 17389655
3-[hydroxy(pyrrolidin-2-yl)methyl]phenol
CID 83484257

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-1-[(2S)-pyrrolidin-2-yl]ethanol?
The IUPAC name of 2,2-diphenyl-1-[(2S)-pyrrolidin-2-yl]ethanol (CID 68647594) is 2,2-diphenyl-1-[(2S)-pyrrolidin-2-yl]ethanol.
What is the SMILES notation for 2,2-diphenyl-1-[(2S)-pyrrolidin-2-yl]ethanol?
The canonical SMILES for 2,2-diphenyl-1-[(2S)-pyrrolidin-2-yl]ethanol is OC(C(c1ccccc1)c1ccccc1)[C@@H]1CCCN1.
What is the InChIKey of 2,2-diphenyl-1-[(2S)-pyrrolidin-2-yl]ethanol?
The InChIKey is VSYNDOLFWJVQNK-ATNAJCNCSA-N. The full InChI is InChI=1S/C18H21NO/c20-18(16-12-7-13-19-16)17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16-20H,7,12-13H2/t16-,18?/m0/s1.
What are the key properties of 2,2-diphenyl-1-[(2S)-pyrrolidin-2-yl]ethanol?
2,2-diphenyl-1-[(2S)-pyrrolidin-2-yl]ethanol has a molecular weight of 267.37 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-1-[(2S)-pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 68647594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).