1-[2-methoxy-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanol

C15H21NO2 — CID 106315535

IUPAC1-[2-methoxy-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanol
SMILESCOc1cccc(N2CCC=C(C)C2)c1C(C)O
InChIInChI=1S/C15H21NO2/c1-11-6-5-9-16(10-11)13-7-4-8-14(18-3)15(13)12(2)17/h4,6-8,12,17H,5,9-10H2,1-3H3
InChIKeyJGFZRMOPXFYYFE-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.90
Rot. Bonds3

About 1-[2-methoxy-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanol

1-[2-methoxy-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanol (PubChem CID 106315535) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[2-methoxy-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-[2-methoxy-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanol
PubChem CID106315535
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[2-methoxy-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanol
SMILESCOc1cccc(N2CCC=C(C)C2)c1C(C)O
InChIInChI=1S/C15H21NO2/c1-11-6-5-9-16(10-11)13-7-4-8-14(18-3)15(13)12(2)17/h4,6-8,12,17H,5,9-10H2,1-3H3
InChIKeyJGFZRMOPXFYYFE-UHFFFAOYSA-N
XLogP2.90
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[2-methoxy-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine
CID 106314700
(1R)-1-[2-methoxy-6-(4-propan-2-ylpiperidin-1-yl)phenyl]ethanol
CID 103498594
4-[2-[(1R)-1-hydroxyethyl]-3-methoxyphenyl]-1-methyl-1,4-diazepan-2-one
CID 102889530
(1S)-1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-6-methoxyphenyl]ethanol
CID 104929030
(1S)-1-[2-methoxy-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanol
CID 104930367
1-[2-[(1S)-1-hydroxyethyl]-3-methoxyphenyl]-4-methylazepan-4-ol
CID 107405213
(1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-6-methoxyphenyl]ethanol
CID 113389249
(1S)-1-(2-methoxy-6-morpholin-4-ylphenyl)ethanamine
CID 113388930
1-[2-methoxy-6-(4-methylpiperazin-1-yl)phenyl]ethanamine
CID 113388932
1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-6-methoxyphenyl]ethanamine
CID 114460236
1-(2-methoxy-6-phenoxyphenyl)ethanol
CID 113389264
1-[2-(2-fluoro-3-methylphenoxy)-6-methoxyphenyl]ethanol
CID 107659175

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanol?
The IUPAC name of 1-[2-methoxy-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanol (CID 106315535) is 1-[2-methoxy-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanol.
What is the SMILES notation for 1-[2-methoxy-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanol?
The canonical SMILES for 1-[2-methoxy-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanol is COc1cccc(N2CCC=C(C)C2)c1C(C)O.
What is the InChIKey of 1-[2-methoxy-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanol?
The InChIKey is JGFZRMOPXFYYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-6-5-9-16(10-11)13-7-4-8-14(18-3)15(13)12(2)17/h4,6-8,12,17H,5,9-10H2,1-3H3.
What are the key properties of 1-[2-methoxy-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanol?
1-[2-methoxy-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanol has a molecular weight of 247.34 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanol is sourced from PubChem (CID 106315535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).