(1S)-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methoxyphenyl]ethanol

C17H21NO3 — CID 103175163

IUPAC(1S)-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methoxyphenyl]ethanol
SMILESCCc1nc(C)ccc1Oc1cccc(OC)c1[C@H](C)O
InChIInChI=1S/C17H21NO3/c1-5-13-14(10-9-11(2)18-13)21-16-8-6-7-15(20-4)17(16)12(3)19/h6-10,12,19H,5H2,1-4H3/t12-/m0/s1
InChIKeyGQEDOVOXNQWBND-LBPRGKRZSA-N
MW287.36 g/mol
LogP3.81
Rot. Bonds5

About (1S)-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methoxyphenyl]ethanol

(1S)-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methoxyphenyl]ethanol (PubChem CID 103175163) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is (1S)-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methoxyphenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methoxyphenyl]ethanol
PubChem CID103175163
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name(1S)-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methoxyphenyl]ethanol
SMILESCCc1nc(C)ccc1Oc1cccc(OC)c1[C@H](C)O
InChIInChI=1S/C17H21NO3/c1-5-13-14(10-9-11(2)18-13)21-16-8-6-7-15(20-4)17(16)12(3)19/h6-10,12,19H,5H2,1-4H3/t12-/m0/s1
InChIKeyGQEDOVOXNQWBND-LBPRGKRZSA-N
XLogP3.81
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[3-chloro-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]ethanol
CID 103175145
(1R)-1-[3-bromo-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]ethanol
CID 103175174
1-[2-(2-fluoro-3-methylphenoxy)-6-methoxyphenyl]ethanol
CID 107659175
[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylsulfanylphenyl]methanamine
CID 103174316
3-[2-(chloromethyl)-3-fluorophenoxy]-2-ethyl-6-methylpyridine
CID 114065574
1-(2-methoxy-6-phenoxyphenyl)ethanol
CID 113389264
3-[(6-chloro-2-pyridinyl)oxy]-2-ethyl-6-methylpyridine
CID 103174660
[3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-pyridinyl]methanamine
CID 103174319
1-[2-(2-bromo-4-methoxyphenoxy)-6-methoxyphenyl]ethanol
CID 104707975
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-(3-methoxyphenyl)ethanol
CID 103175339
2-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide
CID 103174833
(1S)-1-[4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-fluorophenyl]ethanamine
CID 103174897

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methoxyphenyl]ethanol?
The IUPAC name of (1S)-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methoxyphenyl]ethanol (CID 103175163) is (1S)-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methoxyphenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methoxyphenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methoxyphenyl]ethanol is CCc1nc(C)ccc1Oc1cccc(OC)c1[C@H](C)O.
What is the InChIKey of (1S)-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methoxyphenyl]ethanol?
The InChIKey is GQEDOVOXNQWBND-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21NO3/c1-5-13-14(10-9-11(2)18-13)21-16-8-6-7-15(20-4)17(16)12(3)19/h6-10,12,19H,5H2,1-4H3/t12-/m0/s1.
What are the key properties of (1S)-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methoxyphenyl]ethanol?
(1S)-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methoxyphenyl]ethanol has a molecular weight of 287.36 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methoxyphenyl]ethanol is sourced from PubChem (CID 103175163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).