(1S)-1-(4-methoxyphenyl)-3-methyl-1-pyridin-2-ylbutan-1-ol

C17H21NO2 — CID 129364593

IUPAC(1S)-1-(4-methoxyphenyl)-3-methyl-1-pyridin-2-ylbutan-1-ol
SMILESCOc1ccc([C@@](O)(CC(C)C)c2ccccn2)cc1
InChIInChI=1S/C17H21NO2/c1-13(2)12-17(19,16-6-4-5-11-18-16)14-7-9-15(20-3)10-8-14/h4-11,13,19H,12H2,1-3H3/t17-/m0/s1
InChIKeyUQUGWLDOADPNHJ-KRWDZBQOSA-N
MW271.36 g/mol
LogP3.37
Rot. Bonds5

About (1S)-1-(4-methoxyphenyl)-3-methyl-1-pyridin-2-ylbutan-1-ol

(1S)-1-(4-methoxyphenyl)-3-methyl-1-pyridin-2-ylbutan-1-ol (PubChem CID 129364593) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (1S)-1-(4-methoxyphenyl)-3-methyl-1-pyridin-2-ylbutan-1-ol.

Molecular Properties

Compound Name(1S)-1-(4-methoxyphenyl)-3-methyl-1-pyridin-2-ylbutan-1-ol
PubChem CID129364593
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(1S)-1-(4-methoxyphenyl)-3-methyl-1-pyridin-2-ylbutan-1-ol
SMILESCOc1ccc([C@@](O)(CC(C)C)c2ccccn2)cc1
InChIInChI=1S/C17H21NO2/c1-13(2)12-17(19,16-6-4-5-11-18-16)14-7-9-15(20-3)10-8-14/h4-11,13,19H,12H2,1-3H3/t17-/m0/s1
InChIKeyUQUGWLDOADPNHJ-KRWDZBQOSA-N
XLogP3.37
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-(4-methoxyphenyl)-3-pyridin-2-ylpentan-3-ol
CID 125488147
(2S,3R)-3-(4-methoxyphenyl)-2-pyridin-2-ylpentan-3-ol
CID 125488191
5-methyl-3-pyridin-2-ylhexan-3-ol
CID 146396813
(1S)-1-phenyl-1-pyridin-2-ylpropan-1-ol
CID 12522815
(2R,3R)-2-(4-methoxyphenyl)-3-pyridin-2-ylpentan-2-ol
CID 125488478
2-(2-ethoxy-4-methylpentan-2-yl)pyridine
CID 146397028
2-(3-fluoro-5-methylhexan-3-yl)pyridine
CID 146397049
(2S)-4-(4-methoxyphenyl)-2-pyridin-2-ylbut-3-yn-2-ol
CID 102473225
(1R,2R)-1-cyclopropyl-1-(4-methoxyphenyl)-2-pyridin-2-ylbutan-1-ol
CID 125488551
(3-methoxyphenyl)-dipyridin-2-ylmethanol;dihydrochloride
CID 90485685
1,1,5,5-tetrakis(4-methoxyphenyl)-1,5-diphenylpentan-3-ol
CID 70004134
1-pyridin-2-ylpropane-1,1-diol
CID 18373059

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methoxyphenyl)-3-methyl-1-pyridin-2-ylbutan-1-ol?
The IUPAC name of (1S)-1-(4-methoxyphenyl)-3-methyl-1-pyridin-2-ylbutan-1-ol (CID 129364593) is (1S)-1-(4-methoxyphenyl)-3-methyl-1-pyridin-2-ylbutan-1-ol.
What is the SMILES notation for (1S)-1-(4-methoxyphenyl)-3-methyl-1-pyridin-2-ylbutan-1-ol?
The canonical SMILES for (1S)-1-(4-methoxyphenyl)-3-methyl-1-pyridin-2-ylbutan-1-ol is COc1ccc([C@@](O)(CC(C)C)c2ccccn2)cc1.
What is the InChIKey of (1S)-1-(4-methoxyphenyl)-3-methyl-1-pyridin-2-ylbutan-1-ol?
The InChIKey is UQUGWLDOADPNHJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21NO2/c1-13(2)12-17(19,16-6-4-5-11-18-16)14-7-9-15(20-3)10-8-14/h4-11,13,19H,12H2,1-3H3/t17-/m0/s1.
What are the key properties of (1S)-1-(4-methoxyphenyl)-3-methyl-1-pyridin-2-ylbutan-1-ol?
(1S)-1-(4-methoxyphenyl)-3-methyl-1-pyridin-2-ylbutan-1-ol has a molecular weight of 271.36 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methoxyphenyl)-3-methyl-1-pyridin-2-ylbutan-1-ol is sourced from PubChem (CID 129364593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).