1-(2-methoxy-5-methylphenyl)-2-(3-propylpyrrolidin-1-yl)ethanol

C17H27NO2 — CID 115667609

IUPAC1-(2-methoxy-5-methylphenyl)-2-(3-propylpyrrolidin-1-yl)ethanol
SMILESCCCC1CCN(CC(O)c2cc(C)ccc2OC)C1
InChIInChI=1S/C17H27NO2/c1-4-5-14-8-9-18(11-14)12-16(19)15-10-13(2)6-7-17(15)20-3/h6-7,10,14,16,19H,4-5,8-9,11-12H2,1-3H3
InChIKeyGUIRNAVUHJGEEW-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.16
Rot. Bonds6

About 1-(2-methoxy-5-methylphenyl)-2-(3-propylpyrrolidin-1-yl)ethanol

1-(2-methoxy-5-methylphenyl)-2-(3-propylpyrrolidin-1-yl)ethanol (PubChem CID 115667609) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-2-(3-propylpyrrolidin-1-yl)ethanol.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-2-(3-propylpyrrolidin-1-yl)ethanol
PubChem CID115667609
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-(2-methoxy-5-methylphenyl)-2-(3-propylpyrrolidin-1-yl)ethanol
SMILESCCCC1CCN(CC(O)c2cc(C)ccc2OC)C1
InChIInChI=1S/C17H27NO2/c1-4-5-14-8-9-18(11-14)12-16(19)15-10-13(2)6-7-17(15)20-3/h6-7,10,14,16,19H,4-5,8-9,11-12H2,1-3H3
InChIKeyGUIRNAVUHJGEEW-UHFFFAOYSA-N
XLogP3.16
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethoxyphenyl)-2-(3-ethylpyrrolidin-1-yl)ethanol
CID 115688534
2-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 63633648
1-(2-methoxyphenyl)-2-(4-propylpiperidin-1-yl)ethanol
CID 62205945
2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60980968
1-(2-fluorophenyl)-2-(3-propylpyrrolidin-1-yl)ethanol
CID 113246642
1-(2-methoxy-5-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82073865
1-(2-methoxy-5-methylphenyl)pentan-1-ol
CID 61080930
2-(cyclopentylmethoxy)-1-(2-methoxy-5-methylphenyl)ethanol
CID 66324372
1-(2-methoxy-5-methylphenyl)decan-1-ol
CID 65427724
1-[(3-bromo-4-methoxyphenyl)methyl]-3-propylpyrrolidine
CID 112695958
1-(2-methoxy-5-methylphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanol
CID 62545228
3-cyclohexyl-1-(2-ethoxy-5-methylphenyl)propan-1-ol
CID 63427299

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-(3-propylpyrrolidin-1-yl)ethanol?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-(3-propylpyrrolidin-1-yl)ethanol (CID 115667609) is 1-(2-methoxy-5-methylphenyl)-2-(3-propylpyrrolidin-1-yl)ethanol.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-2-(3-propylpyrrolidin-1-yl)ethanol?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-2-(3-propylpyrrolidin-1-yl)ethanol is CCCC1CCN(CC(O)c2cc(C)ccc2OC)C1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-2-(3-propylpyrrolidin-1-yl)ethanol?
The InChIKey is GUIRNAVUHJGEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-5-14-8-9-18(11-14)12-16(19)15-10-13(2)6-7-17(15)20-3/h6-7,10,14,16,19H,4-5,8-9,11-12H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-2-(3-propylpyrrolidin-1-yl)ethanol?
1-(2-methoxy-5-methylphenyl)-2-(3-propylpyrrolidin-1-yl)ethanol has a molecular weight of 277.41 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-2-(3-propylpyrrolidin-1-yl)ethanol is sourced from PubChem (CID 115667609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).