1-(5-methoxy-2-pyrrolidin-1-ylphenyl)ethanol

C13H19NO2 — CID 117316095

IUPAC1-(5-methoxy-2-pyrrolidin-1-ylphenyl)ethanol
SMILESCOc1ccc(N2CCCC2)c(C(C)O)c1
InChIInChI=1S/C13H19NO2/c1-10(15)12-9-11(16-2)5-6-13(12)14-7-3-4-8-14/h5-6,9-10,15H,3-4,7-8H2,1-2H3
InChIKeyFERVAGQBCVULGJ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.35
Rot. Bonds3

About 1-(5-methoxy-2-pyrrolidin-1-ylphenyl)ethanol

1-(5-methoxy-2-pyrrolidin-1-ylphenyl)ethanol (PubChem CID 117316095) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(5-methoxy-2-pyrrolidin-1-ylphenyl)ethanol.

Molecular Properties

Compound Name1-(5-methoxy-2-pyrrolidin-1-ylphenyl)ethanol
PubChem CID117316095
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(5-methoxy-2-pyrrolidin-1-ylphenyl)ethanol
SMILESCOc1ccc(N2CCCC2)c(C(C)O)c1
InChIInChI=1S/C13H19NO2/c1-10(15)12-9-11(16-2)5-6-13(12)14-7-3-4-8-14/h5-6,9-10,15H,3-4,7-8H2,1-2H3
InChIKeyFERVAGQBCVULGJ-UHFFFAOYSA-N
XLogP2.35
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(5-methoxy-2-pyrrolidin-1-ylphenyl)propan-1-amine
CID 117341151
methyl 2-hydroxy-2-(5-methoxy-2-piperidin-1-ylphenyl)acetate
CID 117447811
5-methoxy-2-pyrrolidin-1-ylphenol
CID 168512796
5-methoxy-2-piperidin-1-ylbenzoic acid
CID 70528238
1-(5-methoxy-2-piperidin-1-ylphenyl)propan-2-amine
CID 117374676
2-(5-methoxy-2-piperidin-1-ylphenyl)ethanol
CID 117343468
1-(5-methoxy-2-piperidin-1-ylphenyl)ethanone
CID 117338408
3-(4-methoxy-2-propan-2-ylphenyl)-1,3-thiazolidine
CID 129289858
(1S)-1-[5-fluoro-2-(4-methyl-1,4-diazepan-1-yl)phenyl]ethanol
CID 78939384
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
(1R)-1-[4-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol
CID 82000959
1-(4-bromo-2-piperidin-1-ylphenyl)ethanol
CID 82969107

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2-pyrrolidin-1-ylphenyl)ethanol?
The IUPAC name of 1-(5-methoxy-2-pyrrolidin-1-ylphenyl)ethanol (CID 117316095) is 1-(5-methoxy-2-pyrrolidin-1-ylphenyl)ethanol.
What is the SMILES notation for 1-(5-methoxy-2-pyrrolidin-1-ylphenyl)ethanol?
The canonical SMILES for 1-(5-methoxy-2-pyrrolidin-1-ylphenyl)ethanol is COc1ccc(N2CCCC2)c(C(C)O)c1.
What is the InChIKey of 1-(5-methoxy-2-pyrrolidin-1-ylphenyl)ethanol?
The InChIKey is FERVAGQBCVULGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(15)12-9-11(16-2)5-6-13(12)14-7-3-4-8-14/h5-6,9-10,15H,3-4,7-8H2,1-2H3.
What are the key properties of 1-(5-methoxy-2-pyrrolidin-1-ylphenyl)ethanol?
1-(5-methoxy-2-pyrrolidin-1-ylphenyl)ethanol has a molecular weight of 221.30 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2-pyrrolidin-1-ylphenyl)ethanol is sourced from PubChem (CID 117316095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).