(1S,2S)-1,2-diphenyl-2-pyrrolidin-1-ylethanol

C18H21NO — CID 71458445

IUPAC(1S,2S)-1,2-diphenyl-2-pyrrolidin-1-ylethanol
SMILESO[C@@H](c1ccccc1)[C@H](c1ccccc1)N1CCCC1
InChIInChI=1S/C18H21NO/c20-18(16-11-5-2-6-12-16)17(19-13-7-8-14-19)15-9-3-1-4-10-15/h1-6,9-12,17-18,20H,7-8,13-14H2/t17-,18-/m0/s1
InChIKeyTXXSAALEFDAYHK-ROUUACIJSA-N
MW267.37 g/mol
LogP3.56
Rot. Bonds4

About (1S,2S)-1,2-diphenyl-2-pyrrolidin-1-ylethanol

(1S,2S)-1,2-diphenyl-2-pyrrolidin-1-ylethanol (PubChem CID 71458445) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (1S,2S)-1,2-diphenyl-2-pyrrolidin-1-ylethanol.

Molecular Properties

Compound Name(1S,2S)-1,2-diphenyl-2-pyrrolidin-1-ylethanol
PubChem CID71458445
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(1S,2S)-1,2-diphenyl-2-pyrrolidin-1-ylethanol
SMILESO[C@@H](c1ccccc1)[C@H](c1ccccc1)N1CCCC1
InChIInChI=1S/C18H21NO/c20-18(16-11-5-2-6-12-16)17(19-13-7-8-14-19)15-9-3-1-4-10-15/h1-6,9-12,17-18,20H,7-8,13-14H2/t17-,18-/m0/s1
InChIKeyTXXSAALEFDAYHK-ROUUACIJSA-N
XLogP3.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1,2-diphenyl-2-pyrrolidin-1-ylethanol?
The IUPAC name of (1S,2S)-1,2-diphenyl-2-pyrrolidin-1-ylethanol (CID 71458445) is (1S,2S)-1,2-diphenyl-2-pyrrolidin-1-ylethanol.
What is the SMILES notation for (1S,2S)-1,2-diphenyl-2-pyrrolidin-1-ylethanol?
The canonical SMILES for (1S,2S)-1,2-diphenyl-2-pyrrolidin-1-ylethanol is O[C@@H](c1ccccc1)[C@H](c1ccccc1)N1CCCC1.
What is the InChIKey of (1S,2S)-1,2-diphenyl-2-pyrrolidin-1-ylethanol?
The InChIKey is TXXSAALEFDAYHK-ROUUACIJSA-N. The full InChI is InChI=1S/C18H21NO/c20-18(16-11-5-2-6-12-16)17(19-13-7-8-14-19)15-9-3-1-4-10-15/h1-6,9-12,17-18,20H,7-8,13-14H2/t17-,18-/m0/s1.
What are the key properties of (1S,2S)-1,2-diphenyl-2-pyrrolidin-1-ylethanol?
(1S,2S)-1,2-diphenyl-2-pyrrolidin-1-ylethanol has a molecular weight of 267.37 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1,2-diphenyl-2-pyrrolidin-1-ylethanol is sourced from PubChem (CID 71458445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).