1-(2,5-dimethoxyphenyl)-2-(3-ethylpyrrolidin-1-yl)ethanol

C16H25NO3 — CID 115688534

IUPAC1-(2,5-dimethoxyphenyl)-2-(3-ethylpyrrolidin-1-yl)ethanol
SMILESCCC1CCN(CC(O)c2cc(OC)ccc2OC)C1
InChIInChI=1S/C16H25NO3/c1-4-12-7-8-17(10-12)11-15(18)14-9-13(19-2)5-6-16(14)20-3/h5-6,9,12,15,18H,4,7-8,10-11H2,1-3H3
InChIKeyCEBHPXHLSQKJNN-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.47
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-2-(3-ethylpyrrolidin-1-yl)ethanol

1-(2,5-dimethoxyphenyl)-2-(3-ethylpyrrolidin-1-yl)ethanol (PubChem CID 115688534) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-(3-ethylpyrrolidin-1-yl)ethanol.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-(3-ethylpyrrolidin-1-yl)ethanol
PubChem CID115688534
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-(2,5-dimethoxyphenyl)-2-(3-ethylpyrrolidin-1-yl)ethanol
SMILESCCC1CCN(CC(O)c2cc(OC)ccc2OC)C1
InChIInChI=1S/C16H25NO3/c1-4-12-7-8-17(10-12)11-15(18)14-9-13(19-2)5-6-16(14)20-3/h5-6,9,12,15,18H,4,7-8,10-11H2,1-3H3
InChIKeyCEBHPXHLSQKJNN-UHFFFAOYSA-N
XLogP2.47
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanol
CID 115688624
1-(2-methoxy-5-methylphenyl)-2-(3-propylpyrrolidin-1-yl)ethanol
CID 115667609
(1S)-1-(2,5-dimethoxyphenyl)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]ethanol
CID 98767477
1-(2,5-dimethoxyphenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanol
CID 62332362
1-(2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol
CID 53180201
1-(2,5-dimethoxyphenyl)-2-(3-pyrazol-1-ylazetidin-1-yl)ethanol
CID 56780884
3-(azepan-1-yl)-1-(2,5-dimethoxyphenyl)propan-1-ol
CID 82105585
2-(cyclopentylmethoxy)-1-(2,5-dimethoxyphenyl)ethanol
CID 66321390
(2,5-dimethoxyphenyl)-(3-ethylcyclopentyl)methanol
CID 65411524
2-[(3-ethylpyrrolidin-1-yl)methyl]-4-methoxyphenol
CID 113351697
1-(2,4-dimethoxyphenyl)-2-(4-ethylpiperidin-1-yl)ethanamine
CID 61420654
1-(2,5-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82093877

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(3-ethylpyrrolidin-1-yl)ethanol?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(3-ethylpyrrolidin-1-yl)ethanol (CID 115688534) is 1-(2,5-dimethoxyphenyl)-2-(3-ethylpyrrolidin-1-yl)ethanol.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-(3-ethylpyrrolidin-1-yl)ethanol?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-(3-ethylpyrrolidin-1-yl)ethanol is CCC1CCN(CC(O)c2cc(OC)ccc2OC)C1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-(3-ethylpyrrolidin-1-yl)ethanol?
The InChIKey is CEBHPXHLSQKJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-12-7-8-17(10-12)11-15(18)14-9-13(19-2)5-6-16(14)20-3/h5-6,9,12,15,18H,4,7-8,10-11H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-(3-ethylpyrrolidin-1-yl)ethanol?
1-(2,5-dimethoxyphenyl)-2-(3-ethylpyrrolidin-1-yl)ethanol has a molecular weight of 279.38 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-(3-ethylpyrrolidin-1-yl)ethanol is sourced from PubChem (CID 115688534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).