(1S)-1-[5-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanol

C16H19NO2 — CID 79267455

IUPAC(1S)-1-[5-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
SMILESCc1ccc(OCc2cccc(C)n2)c([C@H](C)O)c1
InChIInChI=1S/C16H19NO2/c1-11-7-8-16(15(9-11)13(3)18)19-10-14-6-4-5-12(2)17-14/h4-9,13,18H,10H2,1-3H3/t13-/m0/s1
InChIKeyVFXRANIKAUHADS-ZDUSSCGKSA-N
MW257.33 g/mol
LogP3.33
Rot. Bonds4

About (1S)-1-[5-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanol

(1S)-1-[5-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanol (PubChem CID 79267455) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is (1S)-1-[5-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
PubChem CID79267455
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name(1S)-1-[5-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
SMILESCc1ccc(OCc2cccc(C)n2)c([C@H](C)O)c1
InChIInChI=1S/C16H19NO2/c1-11-7-8-16(15(9-11)13(3)18)19-10-14-6-4-5-12(2)17-14/h4-9,13,18H,10H2,1-3H3/t13-/m0/s1
InChIKeyVFXRANIKAUHADS-ZDUSSCGKSA-N
XLogP3.33
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[5-methyl-2-(pyridin-2-ylmethoxy)phenyl]ethanol
CID 55190234
(1R)-1-[2-[(6-methyl-2-pyridinyl)methoxy]-5-nitrophenyl]ethanol
CID 104890158
(1R)-1-[2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-5-methylphenyl]ethanol
CID 82887705
1-[4-methoxy-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 82001009
2-[[2-(bromomethyl)-4-methylphenoxy]methyl]-6-methylpyridine
CID 79260684
2-methyl-6-[(2-propan-2-ylphenoxy)methyl]pyridine
CID 79260812
(1S)-1-[2-[(2,6-difluorophenyl)methoxy]-5-methylphenyl]ethanol
CID 104984970
N-ethyl-1-[4-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 79262667
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
(1S)-1-[2-fluoro-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 107720712
(1R)-1-[5-bromo-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 79268203
(1R)-1-[2-[(6-methoxy-2-pyridinyl)methoxy]-5-methylphenyl]ethanamine
CID 63992926

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[5-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanol (CID 79267455) is (1S)-1-[5-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[5-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[5-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanol is Cc1ccc(OCc2cccc(C)n2)c([C@H](C)O)c1.
What is the InChIKey of (1S)-1-[5-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanol?
The InChIKey is VFXRANIKAUHADS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11-7-8-16(15(9-11)13(3)18)19-10-14-6-4-5-12(2)17-14/h4-9,13,18H,10H2,1-3H3/t13-/m0/s1.
What are the key properties of (1S)-1-[5-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanol?
(1S)-1-[5-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanol has a molecular weight of 257.33 g/mol, XLogP of 3.33, 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-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 79267455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).