2-(3-methoxyphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol

C18H27NO2 — CID 79060564

IUPAC2-(3-methoxyphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol
SMILESCOc1cccc(CC(O)C2(N3CCCC3)CCCC2)c1
InChIInChI=1S/C18H27NO2/c1-21-16-8-6-7-15(13-16)14-17(20)18(9-2-3-10-18)19-11-4-5-12-19/h6-8,13,17,20H,2-5,9-12,14H2,1H3
InChIKeyXZERXEJVVVISMK-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.01
Rot. Bonds5

About 2-(3-methoxyphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol

2-(3-methoxyphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol (PubChem CID 79060564) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol
PubChem CID79060564
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-(3-methoxyphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol
SMILESCOc1cccc(CC(O)C2(N3CCCC3)CCCC2)c1
InChIInChI=1S/C18H27NO2/c1-21-16-8-6-7-15(13-16)14-17(20)18(9-2-3-10-18)19-11-4-5-12-19/h6-8,13,17,20H,2-5,9-12,14H2,1H3
InChIKeyXZERXEJVVVISMK-UHFFFAOYSA-N
XLogP3.01
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxyphenyl)-2-pyrrolidin-1-ylpropanoic acid
CID 82087126
5-(3-methoxyphenyl)-4-methylpentan-2-ol
CID 64721891
1-cyclobutyl-2-(3-methoxyphenyl)ethanol
CID 63017891
2-(3-fluorophenyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine
CID 79057960
[2-(3-methoxyphenyl)-1-(1-methylcyclopentyl)ethyl]hydrazine
CID 105295319
N-[3-(3-methoxyphenyl)-2-methylpropyl]pyrrolidin-1-amine
CID 155178982
1-[1-amino-2-(3-methoxyphenyl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79066060
1-chloro-2-(3-methoxyphenyl)ethanamine
CID 67681258
1-(3-methoxyphenyl)pentan-2-ol
CID 61261615
1-[1-(3-methoxyphenyl)propan-2-yl]-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea
CID 86943756
1-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propan-2-ol
CID 62606541
2-(3-methoxyphenyl)-1-(2-methyloxan-2-yl)ethanamine
CID 80685196

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol?
The IUPAC name of 2-(3-methoxyphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol (CID 79060564) is 2-(3-methoxyphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol?
The canonical SMILES for 2-(3-methoxyphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol is COc1cccc(CC(O)C2(N3CCCC3)CCCC2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol?
The InChIKey is XZERXEJVVVISMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-21-16-8-6-7-15(13-16)14-17(20)18(9-2-3-10-18)19-11-4-5-12-19/h6-8,13,17,20H,2-5,9-12,14H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol?
2-(3-methoxyphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol has a molecular weight of 289.42 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol is sourced from PubChem (CID 79060564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).