(3R,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-phenylethyl)pyrrolidin-3-ol

C19H23NO2 — CID 68879577

IUPAC(3R,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-phenylethyl)pyrrolidin-3-ol
SMILESOC[C@H]1CN(CCc2ccccc2)C[C@]1(O)c1ccccc1
InChIInChI=1S/C19H23NO2/c21-14-18-13-20(12-11-16-7-3-1-4-8-16)15-19(18,22)17-9-5-2-6-10-17/h1-10,18,21-22H,11-15H2/t18-,19+/m1/s1
InChIKeyUEZBOBWOEKITNC-MOPGFXCFSA-N
MW297.40 g/mol
LogP2.04
Rot. Bonds5

About (3R,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-phenylethyl)pyrrolidin-3-ol

(3R,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-phenylethyl)pyrrolidin-3-ol (PubChem CID 68879577) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (3R,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-phenylethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-phenylethyl)pyrrolidin-3-ol
PubChem CID68879577
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(3R,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-phenylethyl)pyrrolidin-3-ol
SMILESOC[C@H]1CN(CCc2ccccc2)C[C@]1(O)c1ccccc1
InChIInChI=1S/C19H23NO2/c21-14-18-13-20(12-11-16-7-3-1-4-8-16)15-19(18,22)17-9-5-2-6-10-17/h1-10,18,21-22H,11-15H2/t18-,19+/m1/s1
InChIKeyUEZBOBWOEKITNC-MOPGFXCFSA-N
XLogP2.04
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-phenylethyl)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

[6,6-dimethyl-4-(2-phenylethyl)morpholin-2-yl]methanol
CID 114779799
(3aS,6aR)-2-methyl-5-(2-phenylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 118534999
[1-benzyl-4-(hydroxymethyl)-4-methylpyrrolidin-3-yl]methanol
CID 130151390
(7R,8aR)-1',2-bis(2-phenylethyl)spiro[1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-7-ol
CID 125418789
2-[2-(4-hydroxyphenyl)ethyl]-5-(2-phenylethyl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol
CID 123595990
3-(2-phenylethyl)-6-oxa-3-azabicyclo[3.1.0]hexane
CID 54116015
[8-[(5-fluoro-1-methylindol-3-yl)methyl]-2-(2-phenylethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 176970605
[(4S)-2-benzyl-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 99728174
4-(hydroxymethyl)-5,5-dimethyl-1-(2-phenylethyl)pyrrolidin-2-one
CID 117023014
[4-(2-phenylethyl)-1,4-diazepan-2-yl]methanol
CID 82243271
1-(2-phenylethyl)piperidine-3,4-dicarboxylic acid
CID 115918716
(3S,5R)-1-benzyl-4,4-difluoro-5-(hydroxymethyl)piperidin-3-ol
CID 42612420

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-phenylethyl)pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-phenylethyl)pyrrolidin-3-ol (CID 68879577) is (3R,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-phenylethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-phenylethyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-phenylethyl)pyrrolidin-3-ol is OC[C@H]1CN(CCc2ccccc2)C[C@]1(O)c1ccccc1.
What is the InChIKey of (3R,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-phenylethyl)pyrrolidin-3-ol?
The InChIKey is UEZBOBWOEKITNC-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H23NO2/c21-14-18-13-20(12-11-16-7-3-1-4-8-16)15-19(18,22)17-9-5-2-6-10-17/h1-10,18,21-22H,11-15H2/t18-,19+/m1/s1.
What are the key properties of (3R,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-phenylethyl)pyrrolidin-3-ol?
(3R,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-phenylethyl)pyrrolidin-3-ol has a molecular weight of 297.40 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-phenylethyl)pyrrolidin-3-ol is sourced from PubChem (CID 68879577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).