5-methoxy-2-[(3-propylpyrrolidin-1-yl)methyl]phenol

C15H23NO2 — CID 112548941

IUPAC5-methoxy-2-[(3-propylpyrrolidin-1-yl)methyl]phenol
SMILESCCCC1CCN(Cc2ccc(OC)cc2O)C1
InChIInChI=1S/C15H23NO2/c1-3-4-12-7-8-16(10-12)11-13-5-6-14(18-2)9-15(13)17/h5-6,9,12,17H,3-4,7-8,10-11H2,1-2H3
InChIKeyONAJDJPHRQGYKQ-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.02
Rot. Bonds5

About 5-methoxy-2-[(3-propylpyrrolidin-1-yl)methyl]phenol

5-methoxy-2-[(3-propylpyrrolidin-1-yl)methyl]phenol (PubChem CID 112548941) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 5-methoxy-2-[(3-propylpyrrolidin-1-yl)methyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[(3-propylpyrrolidin-1-yl)methyl]phenol
PubChem CID112548941
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name5-methoxy-2-[(3-propylpyrrolidin-1-yl)methyl]phenol
SMILESCCCC1CCN(Cc2ccc(OC)cc2O)C1
InChIInChI=1S/C15H23NO2/c1-3-4-12-7-8-16(10-12)11-13-5-6-14(18-2)9-15(13)17/h5-6,9,12,17H,3-4,7-8,10-11H2,1-2H3
InChIKeyONAJDJPHRQGYKQ-UHFFFAOYSA-N
XLogP3.02
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(3-aminopyrrolidin-1-yl)methyl]-5-methoxyphenol
CID 62067190
(3R)-1-[(2-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 103882000
2-[(3-propylpyrrolidin-1-yl)methyl]phenol
CID 115970486
2-[(3-ethylpyrrolidin-1-yl)methyl]-4-methoxyphenol
CID 113351697
1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-ol
CID 2845869
5-methoxy-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenol
CID 82983416
3-(2-bromoethyl)-1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidine
CID 114800372
6-[(3-propylpyrrolidin-1-yl)methyl]-1,3-benzodioxol-5-ol
CID 112695840
[4-methoxy-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]boronic acid
CID 65327539
N-[[1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 63363167
2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyphenol
CID 82959226
1-[(2-bromo-5-methoxyphenyl)methyl]-3-(bromomethyl)pyrrolidine
CID 80691864

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(3-propylpyrrolidin-1-yl)methyl]phenol?
The IUPAC name of 5-methoxy-2-[(3-propylpyrrolidin-1-yl)methyl]phenol (CID 112548941) is 5-methoxy-2-[(3-propylpyrrolidin-1-yl)methyl]phenol.
What is the SMILES notation for 5-methoxy-2-[(3-propylpyrrolidin-1-yl)methyl]phenol?
The canonical SMILES for 5-methoxy-2-[(3-propylpyrrolidin-1-yl)methyl]phenol is CCCC1CCN(Cc2ccc(OC)cc2O)C1.
What is the InChIKey of 5-methoxy-2-[(3-propylpyrrolidin-1-yl)methyl]phenol?
The InChIKey is ONAJDJPHRQGYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-4-12-7-8-16(10-12)11-13-5-6-14(18-2)9-15(13)17/h5-6,9,12,17H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 5-methoxy-2-[(3-propylpyrrolidin-1-yl)methyl]phenol?
5-methoxy-2-[(3-propylpyrrolidin-1-yl)methyl]phenol has a molecular weight of 249.35 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(3-propylpyrrolidin-1-yl)methyl]phenol is sourced from PubChem (CID 112548941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).