(3S,4S)-1-(2,2-diphenylethyl)-4-ethoxypyrrolidin-3-ol

C20H25NO2 — CID 91782019

IUPAC(3S,4S)-1-(2,2-diphenylethyl)-4-ethoxypyrrolidin-3-ol
SMILESCCO[C@H]1CN(CC(c2ccccc2)c2ccccc2)C[C@@H]1O
InChIInChI=1S/C20H25NO2/c1-2-23-20-15-21(14-19(20)22)13-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18-20,22H,2,13-15H2,1H3/t19-,20-/m0/s1
InChIKeyHSVNKNQXVUKKCJ-PMACEKPBSA-N
MW311.43 g/mol
LogP2.90
Rot. Bonds6

About (3S,4S)-1-(2,2-diphenylethyl)-4-ethoxypyrrolidin-3-ol

(3S,4S)-1-(2,2-diphenylethyl)-4-ethoxypyrrolidin-3-ol (PubChem CID 91782019) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is (3S,4S)-1-(2,2-diphenylethyl)-4-ethoxypyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-1-(2,2-diphenylethyl)-4-ethoxypyrrolidin-3-ol
PubChem CID91782019
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name(3S,4S)-1-(2,2-diphenylethyl)-4-ethoxypyrrolidin-3-ol
SMILESCCO[C@H]1CN(CC(c2ccccc2)c2ccccc2)C[C@@H]1O
InChIInChI=1S/C20H25NO2/c1-2-23-20-15-21(14-19(20)22)13-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18-20,22H,2,13-15H2,1H3/t19-,20-/m0/s1
InChIKeyHSVNKNQXVUKKCJ-PMACEKPBSA-N
XLogP2.90
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(2,2-diphenylethyl)-4-ethoxypyrrolidin-3-ol?
The IUPAC name of (3S,4S)-1-(2,2-diphenylethyl)-4-ethoxypyrrolidin-3-ol (CID 91782019) is (3S,4S)-1-(2,2-diphenylethyl)-4-ethoxypyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-1-(2,2-diphenylethyl)-4-ethoxypyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-1-(2,2-diphenylethyl)-4-ethoxypyrrolidin-3-ol is CCO[C@H]1CN(CC(c2ccccc2)c2ccccc2)C[C@@H]1O.
What is the InChIKey of (3S,4S)-1-(2,2-diphenylethyl)-4-ethoxypyrrolidin-3-ol?
The InChIKey is HSVNKNQXVUKKCJ-PMACEKPBSA-N. The full InChI is InChI=1S/C20H25NO2/c1-2-23-20-15-21(14-19(20)22)13-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18-20,22H,2,13-15H2,1H3/t19-,20-/m0/s1.
What are the key properties of (3S,4S)-1-(2,2-diphenylethyl)-4-ethoxypyrrolidin-3-ol?
(3S,4S)-1-(2,2-diphenylethyl)-4-ethoxypyrrolidin-3-ol has a molecular weight of 311.43 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(2,2-diphenylethyl)-4-ethoxypyrrolidin-3-ol is sourced from PubChem (CID 91782019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).