(2R,3S)-3-(4-ethoxyphenyl)-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol

C24H33NO2 — CID 40643792

IUPAC(2R,3S)-3-(4-ethoxyphenyl)-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol
SMILESCCC[C@@](O)(c1ccc(OCC)cc1)[C@@H](CN1CCCC1)c1ccccc1
InChIInChI=1S/C24H33NO2/c1-3-16-24(26,21-12-14-22(15-13-21)27-4-2)23(19-25-17-8-9-18-25)20-10-6-5-7-11-20/h5-7,10-15,23,26H,3-4,8-9,16-19H2,1-2H3/t23-,24+/m0/s1
InChIKeyZPRSLNGJTTYSCX-BJKOFHAPSA-N
MW367.53 g/mol
LogP4.95
Rot. Bonds9

About (2R,3S)-3-(4-ethoxyphenyl)-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol

(2R,3S)-3-(4-ethoxyphenyl)-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol (PubChem CID 40643792) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is (2R,3S)-3-(4-ethoxyphenyl)-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol.

Molecular Properties

Compound Name(2R,3S)-3-(4-ethoxyphenyl)-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol
PubChem CID40643792
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Name(2R,3S)-3-(4-ethoxyphenyl)-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol
SMILESCCC[C@@](O)(c1ccc(OCC)cc1)[C@@H](CN1CCCC1)c1ccccc1
InChIInChI=1S/C24H33NO2/c1-3-16-24(26,21-12-14-22(15-13-21)27-4-2)23(19-25-17-8-9-18-25)20-10-6-5-7-11-20/h5-7,10-15,23,26H,3-4,8-9,16-19H2,1-2H3/t23-,24+/m0/s1
InChIKeyZPRSLNGJTTYSCX-BJKOFHAPSA-N
XLogP4.95
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.53
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-1-(azepan-1-yl)-3-(4-ethoxyphenyl)-2-phenylhexan-3-ol
CID 40643748
(2R,3R)-3-(4-ethoxyphenyl)-2-phenyl-1-pyrrolidin-1-yldecan-3-ol
CID 98213589
(2R,3S)-1-(azepan-1-yl)-3-(4-ethoxyphenyl)-6-methyl-2-phenylheptan-3-ol
CID 40643762
(2R,3S)-3-(4-ethoxyphenyl)-5-methyl-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol
CID 40643810
4-(3-hydroxy-2-phenyl-1-piperidin-1-ylhexan-3-yl)phenol
CID 23607014
4-(3-hydroxy-2-phenyl-1-piperidin-1-ylhexan-3-yl)phenol;hydrochloride
CID 44782432
1-(4-ethoxyphenyl)-1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride
CID 24748034
(2R,3R)-3-(4-butoxyphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol
CID 92697716
(1R,2R)-3-(azepan-1-yl)-1-(4-ethoxyphenyl)-1-(4-methylphenyl)-2-phenylpropan-1-ol
CID 40965480
[3-(4-ethoxyphenyl)-3-hydroxy-2-phenylhexyl]-dimethylazanium
CID 5189560
(2S,3R)-2,3-diphenyl-1-piperidin-1-ylpentan-3-ol
CID 29184942
2,3-diphenyl-1-piperidin-1-ylpentan-3-ol
CID 23607019

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(4-ethoxyphenyl)-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol?
The IUPAC name of (2R,3S)-3-(4-ethoxyphenyl)-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol (CID 40643792) is (2R,3S)-3-(4-ethoxyphenyl)-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol.
What is the SMILES notation for (2R,3S)-3-(4-ethoxyphenyl)-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol?
The canonical SMILES for (2R,3S)-3-(4-ethoxyphenyl)-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol is CCC[C@@](O)(c1ccc(OCC)cc1)[C@@H](CN1CCCC1)c1ccccc1.
What is the InChIKey of (2R,3S)-3-(4-ethoxyphenyl)-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol?
The InChIKey is ZPRSLNGJTTYSCX-BJKOFHAPSA-N. The full InChI is InChI=1S/C24H33NO2/c1-3-16-24(26,21-12-14-22(15-13-21)27-4-2)23(19-25-17-8-9-18-25)20-10-6-5-7-11-20/h5-7,10-15,23,26H,3-4,8-9,16-19H2,1-2H3/t23-,24+/m0/s1.
What are the key properties of (2R,3S)-3-(4-ethoxyphenyl)-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol?
(2R,3S)-3-(4-ethoxyphenyl)-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol has a molecular weight of 367.53 g/mol, XLogP of 4.95, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(4-ethoxyphenyl)-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol is sourced from PubChem (CID 40643792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).