1-(4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol

C20H25NO2 — CID 3102574

IUPAC1-(4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol
SMILESCOc1ccc(C(O)C(CN2CCCC2)c2ccccc2)cc1
InChIInChI=1S/C20H25NO2/c1-23-18-11-9-17(10-12-18)20(22)19(15-21-13-5-6-14-21)16-7-3-2-4-8-16/h2-4,7-12,19-20,22H,5-6,13-15H2,1H3
InChIKeyDEEATEZDZDETJW-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.61
Rot. Bonds6

About 1-(4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol

1-(4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol (PubChem CID 3102574) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol
PubChem CID3102574
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name1-(4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol
SMILESCOc1ccc(C(O)C(CN2CCCC2)c2ccccc2)cc1
InChIInChI=1S/C20H25NO2/c1-23-18-11-9-17(10-12-18)20(22)19(15-21-13-5-6-14-21)16-7-3-2-4-8-16/h2-4,7-12,19-20,22H,5-6,13-15H2,1H3
InChIKeyDEEATEZDZDETJW-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2R)-1-(4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol
CID 822969
(1S,2R)-3-(azepan-1-yl)-1-(4-bromophenyl)-2-phenylpropan-1-ol
CID 31196420
1-(3-fluoro-4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride
CID 3066416
(1S,2S)-2-amino-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 11652165
benzyl-[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]carbamic acid
CID 67302978
[(1R,2R)-1-(4-methoxyphenyl)-2-phenyl-3-piperidin-1-ylpropyl] benzoate
CID 7411313
2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol
CID 54944635
[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]carbamic acid
CID 68513118
3-(azepan-1-yl)-2-(4-methoxyphenyl)propanoic acid
CID 117245121
(1S,2S)-1-(4-chlorophenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol
CID 911541
1-[(2R)-3-ethyl-2-phenylpentyl]pyrrolidine
CID 71001431
(2R,3S)-3-(4-methoxyphenyl)-5-methyl-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol
CID 92716985

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol?
The IUPAC name of 1-(4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol (CID 3102574) is 1-(4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol?
The canonical SMILES for 1-(4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol is COc1ccc(C(O)C(CN2CCCC2)c2ccccc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol?
The InChIKey is DEEATEZDZDETJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-23-18-11-9-17(10-12-18)20(22)19(15-21-13-5-6-14-21)16-7-3-2-4-8-16/h2-4,7-12,19-20,22H,5-6,13-15H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol?
1-(4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol has a molecular weight of 311.43 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol is sourced from PubChem (CID 3102574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).