2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-phenylethanol

C19H23NO2 — CID 110880168

IUPAC2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-phenylethanol
SMILESCOc1ccc(C2CCCN2CC(O)c2ccccc2)cc1
InChIInChI=1S/C19H23NO2/c1-22-17-11-9-15(10-12-17)18-8-5-13-20(18)14-19(21)16-6-3-2-4-7-16/h2-4,6-7,9-12,18-19,21H,5,8,13-14H2,1H3
InChIKeyBMRXPPCCAOHUED-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.57
Rot. Bonds5

About 2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-phenylethanol

2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-phenylethanol (PubChem CID 110880168) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-phenylethanol
PubChem CID110880168
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-phenylethanol
SMILESCOc1ccc(C2CCCN2CC(O)c2ccccc2)cc1
InChIInChI=1S/C19H23NO2/c1-22-17-11-9-15(10-12-17)18-8-5-13-20(18)14-19(21)16-6-3-2-4-7-16/h2-4,6-7,9-12,18-19,21H,5,8,13-14H2,1H3
InChIKeyBMRXPPCCAOHUED-UHFFFAOYSA-N
XLogP3.57
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminophenyl)-2-(2-phenylpyrrolidin-1-yl)ethanol
CID 62266444
2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 98482252
(1S)-1-(4-methylsulfonylphenyl)-2-[(2S)-2-phenylpyrrolidin-1-yl]ethanol
CID 125145320
(2R)-1-ethyl-2-(4-methoxyphenyl)pyrrolidine
CID 124500800
(1S)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanol
CID 10801648
(1S)-2-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-1-phenylethanol
CID 100842107
2-[2-[4-(4-methoxyphenoxy)phenyl]pyrrolidin-1-yl]acetic acid
CID 24845352
2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 20895862
(1R)-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-1-phenylethanol
CID 94000959
1-[2-(4-methoxyphenyl)azepan-1-yl]-3-propan-2-yloxypropan-2-ol
CID 78827409
N-(4-methoxyphenyl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 40810435
1-[2-(4-methoxyphenyl)azepan-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 110882272

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-phenylethanol?
The IUPAC name of 2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-phenylethanol (CID 110880168) is 2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-phenylethanol.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-phenylethanol?
The canonical SMILES for 2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-phenylethanol is COc1ccc(C2CCCN2CC(O)c2ccccc2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-phenylethanol?
The InChIKey is BMRXPPCCAOHUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-22-17-11-9-15(10-12-17)18-8-5-13-20(18)14-19(21)16-6-3-2-4-7-16/h2-4,6-7,9-12,18-19,21H,5,8,13-14H2,1H3.
What are the key properties of 2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-phenylethanol?
2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-phenylethanol has a molecular weight of 297.40 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-phenylethanol is sourced from PubChem (CID 110880168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).