[(2R)-1-[[4-[[3-(2-phenylethyl)phenoxy]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol

C27H31NO2 — CID 155535418

IUPAC[(2R)-1-[[4-[[3-(2-phenylethyl)phenoxy]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1Cc1ccc(COc2cccc(CCc3ccccc3)c2)cc1
InChIInChI=1S/C27H31NO2/c29-20-26-9-5-17-28(26)19-24-13-15-25(16-14-24)21-30-27-10-4-8-23(18-27)12-11-22-6-2-1-3-7-22/h1-4,6-8,10,13-16,18,26,29H,5,9,11-12,17,19-21H2/t26-/m1/s1
InChIKeyOETCYVILHFTAQU-AREMUKBSSA-N
MW401.55 g/mol
LogP5.01
Rot. Bonds9

About [(2R)-1-[[4-[[3-(2-phenylethyl)phenoxy]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol

[(2R)-1-[[4-[[3-(2-phenylethyl)phenoxy]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 155535418) has the molecular formula C27H31NO2 and a molecular weight of 401.55 g/mol. Its IUPAC name is [(2R)-1-[[4-[[3-(2-phenylethyl)phenoxy]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[[4-[[3-(2-phenylethyl)phenoxy]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol
PubChem CID155535418
Molecular FormulaC27H31NO2
Molecular Weight401.55 g/mol
Exact Mass401.24
IUPAC Name[(2R)-1-[[4-[[3-(2-phenylethyl)phenoxy]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1Cc1ccc(COc2cccc(CCc3ccccc3)c2)cc1
InChIInChI=1S/C27H31NO2/c29-20-26-9-5-17-28(26)19-24-13-15-25(16-14-24)21-30-27-10-4-8-23(18-27)12-11-22-6-2-1-3-7-22/h1-4,6-8,10,13-16,18,26,29H,5,9,11-12,17,19-21H2/t26-/m1/s1
InChIKeyOETCYVILHFTAQU-AREMUKBSSA-N
XLogP5.01
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.55
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2R)-1-[[4-[[3-(2-phenylethyl)phenoxy]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol 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

[1-[(4-phenylmethoxyphenyl)methyl]piperidin-2-yl]methanol
CID 23961585
[(2R)-1-[[4-[[3-[(3-fluorophenyl)methoxy]phenoxy]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol
CID 155536715
[(2R)-1-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 66689325
3-[4-[[4-[[2-(2-phenylethyl)pyrrolidin-1-yl]methyl]phenyl]methoxy]phenyl]propanoic acid
CID 23159958
[1-(2-phenylethyl)pyrrolidin-2-yl]methanol
CID 13404761
[(2S)-1-[(2-phenylmethoxynaphtho[1,2-f][1,3]benzodioxol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 86625133
2-[(3S)-2-[(3-phenylmethoxyphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-3-yl]ethanol
CID 110211495
N-methyl-1-[1-[(3-phenylmethoxyphenyl)methyl]azetidin-2-yl]methanamine
CID 129211083
[(2S)-1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]methanol
CID 30979696
[1-[(3-aminophenyl)methyl]pyrrolidin-2-yl]methanol
CID 61407137
[(2R)-1-[(3-aminophenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride
CID 70142040
[1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 75467118

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[[4-[[3-(2-phenylethyl)phenoxy]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[[4-[[3-(2-phenylethyl)phenoxy]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol (CID 155535418) is [(2R)-1-[[4-[[3-(2-phenylethyl)phenoxy]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[[4-[[3-(2-phenylethyl)phenoxy]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[[4-[[3-(2-phenylethyl)phenoxy]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol is OC[C@H]1CCCN1Cc1ccc(COc2cccc(CCc3ccccc3)c2)cc1.
What is the InChIKey of [(2R)-1-[[4-[[3-(2-phenylethyl)phenoxy]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is OETCYVILHFTAQU-AREMUKBSSA-N. The full InChI is InChI=1S/C27H31NO2/c29-20-26-9-5-17-28(26)19-24-13-15-25(16-14-24)21-30-27-10-4-8-23(18-27)12-11-22-6-2-1-3-7-22/h1-4,6-8,10,13-16,18,26,29H,5,9,11-12,17,19-21H2/t26-/m1/s1.
What are the key properties of [(2R)-1-[[4-[[3-(2-phenylethyl)phenoxy]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol?
[(2R)-1-[[4-[[3-(2-phenylethyl)phenoxy]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 401.55 g/mol, XLogP of 5.01, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[[4-[[3-(2-phenylethyl)phenoxy]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 155535418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).