(1S)-1-[5-methyl-2-(pyridin-2-ylmethoxy)phenyl]ethanol

C15H17NO2 — CID 55190234

IUPAC(1S)-1-[5-methyl-2-(pyridin-2-ylmethoxy)phenyl]ethanol
SMILESCc1ccc(OCc2ccccn2)c([C@H](C)O)c1
InChIInChI=1S/C15H17NO2/c1-11-6-7-15(14(9-11)12(2)17)18-10-13-5-3-4-8-16-13/h3-9,12,17H,10H2,1-2H3/t12-/m0/s1
InChIKeyMLHPZNFTFFBWRO-LBPRGKRZSA-N
MW243.31 g/mol
LogP3.02
Rot. Bonds4

About (1S)-1-[5-methyl-2-(pyridin-2-ylmethoxy)phenyl]ethanol

(1S)-1-[5-methyl-2-(pyridin-2-ylmethoxy)phenyl]ethanol (PubChem CID 55190234) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is (1S)-1-[5-methyl-2-(pyridin-2-ylmethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-methyl-2-(pyridin-2-ylmethoxy)phenyl]ethanol
PubChem CID55190234
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name(1S)-1-[5-methyl-2-(pyridin-2-ylmethoxy)phenyl]ethanol
SMILESCc1ccc(OCc2ccccn2)c([C@H](C)O)c1
InChIInChI=1S/C15H17NO2/c1-11-6-7-15(14(9-11)12(2)17)18-10-13-5-3-4-8-16-13/h3-9,12,17H,10H2,1-2H3/t12-/m0/s1
InChIKeyMLHPZNFTFFBWRO-LBPRGKRZSA-N
XLogP3.02
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[5-methyl-2-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 43505122
(1S)-1-[5-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 79267455
(1R)-1-[2-[(2-methoxyphenyl)methoxy]-5-methylphenyl]ethanol
CID 63366482
1-(2-methoxy-5-methylphenyl)-2-pyridin-2-ylpropan-1-ol
CID 66459919
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
(1S)-1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]ethanol
CID 78934333
(1R)-1-[2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-5-methylphenyl]ethanol
CID 82887705
1-[2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-5-methylphenyl]ethanol
CID 66188562
1-[2-[(2,5-dimethylphenyl)methoxy]-5-methylphenyl]ethanol
CID 61481674
(1S)-1-[2-[(2,6-difluorophenyl)methoxy]-5-methylphenyl]ethanol
CID 104984970
(1S)-1-[5-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine
CID 78936782
(1R)-1-[5-methyl-2-(2-phenoxyethoxy)phenyl]ethanol
CID 63366399

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-methyl-2-(pyridin-2-ylmethoxy)phenyl]ethanol?
The IUPAC name of (1S)-1-[5-methyl-2-(pyridin-2-ylmethoxy)phenyl]ethanol (CID 55190234) is (1S)-1-[5-methyl-2-(pyridin-2-ylmethoxy)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[5-methyl-2-(pyridin-2-ylmethoxy)phenyl]ethanol?
The canonical SMILES for (1S)-1-[5-methyl-2-(pyridin-2-ylmethoxy)phenyl]ethanol is Cc1ccc(OCc2ccccn2)c([C@H](C)O)c1.
What is the InChIKey of (1S)-1-[5-methyl-2-(pyridin-2-ylmethoxy)phenyl]ethanol?
The InChIKey is MLHPZNFTFFBWRO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11-6-7-15(14(9-11)12(2)17)18-10-13-5-3-4-8-16-13/h3-9,12,17H,10H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-[5-methyl-2-(pyridin-2-ylmethoxy)phenyl]ethanol?
(1S)-1-[5-methyl-2-(pyridin-2-ylmethoxy)phenyl]ethanol has a molecular weight of 243.31 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-methyl-2-(pyridin-2-ylmethoxy)phenyl]ethanol is sourced from PubChem (CID 55190234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).