(1S)-1-[5-[4-(2-methoxyethyl)phenoxy]-2-pyridinyl]ethanol

C16H19NO3 — CID 83124503

IUPAC(1S)-1-[5-[4-(2-methoxyethyl)phenoxy]-2-pyridinyl]ethanol
SMILESCOCCc1ccc(Oc2ccc([C@H](C)O)nc2)cc1
InChIInChI=1S/C16H19NO3/c1-12(18)16-8-7-15(11-17-16)20-14-5-3-13(4-6-14)9-10-19-2/h3-8,11-12,18H,9-10H2,1-2H3/t12-/m0/s1
InChIKeyARKASBMNELUBLA-LBPRGKRZSA-N
MW273.33 g/mol
LogP3.12
Rot. Bonds6

About (1S)-1-[5-[4-(2-methoxyethyl)phenoxy]-2-pyridinyl]ethanol

(1S)-1-[5-[4-(2-methoxyethyl)phenoxy]-2-pyridinyl]ethanol (PubChem CID 83124503) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is (1S)-1-[5-[4-(2-methoxyethyl)phenoxy]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-[4-(2-methoxyethyl)phenoxy]-2-pyridinyl]ethanol
PubChem CID83124503
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name(1S)-1-[5-[4-(2-methoxyethyl)phenoxy]-2-pyridinyl]ethanol
SMILESCOCCc1ccc(Oc2ccc([C@H](C)O)nc2)cc1
InChIInChI=1S/C16H19NO3/c1-12(18)16-8-7-15(11-17-16)20-14-5-3-13(4-6-14)9-10-19-2/h3-8,11-12,18H,9-10H2,1-2H3/t12-/m0/s1
InChIKeyARKASBMNELUBLA-LBPRGKRZSA-N
XLogP3.12
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[4-(2-methoxyethyl)phenoxy]-2-pyridinyl]propan-1-amine
CID 115940032
(1R)-1-[5-[4-(2-methylbutan-2-yl)phenoxy]-2-pyridinyl]ethanol
CID 83111249
1-(5-propoxy-2-pyridinyl)ethanol
CID 174643637
1-[5-(3,5-dichlorophenoxy)-2-pyridinyl]ethanol
CID 83125125
(1R)-1-[5-(4-nitrophenoxy)-2-pyridinyl]ethanol
CID 83125211
(1S)-1-[5-(2-methoxyphenoxy)-2-pyridinyl]ethanol
CID 83124880
1-[5-(3,4-difluorophenoxy)-2-pyridinyl]ethanol
CID 83125690
1-[5-(3-ethoxyphenoxy)-2-pyridinyl]ethanol
CID 83124813
1-[5-[4-(hydroxymethyl)-2-methoxyphenoxy]-2-pyridinyl]ethanol
CID 107743552
1-[5-(4-methoxyphenoxy)-2-pyridinyl]propan-1-ol
CID 112585568
(1S)-1-[5-(4-methoxyphenoxy)-2-pyridinyl]propan-1-ol
CID 103939120
5-bromo-2-[4-(2-methoxyethyl)phenoxy]pyridine
CID 61373244

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-[4-(2-methoxyethyl)phenoxy]-2-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[5-[4-(2-methoxyethyl)phenoxy]-2-pyridinyl]ethanol (CID 83124503) is (1S)-1-[5-[4-(2-methoxyethyl)phenoxy]-2-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[5-[4-(2-methoxyethyl)phenoxy]-2-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[5-[4-(2-methoxyethyl)phenoxy]-2-pyridinyl]ethanol is COCCc1ccc(Oc2ccc([C@H](C)O)nc2)cc1.
What is the InChIKey of (1S)-1-[5-[4-(2-methoxyethyl)phenoxy]-2-pyridinyl]ethanol?
The InChIKey is ARKASBMNELUBLA-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19NO3/c1-12(18)16-8-7-15(11-17-16)20-14-5-3-13(4-6-14)9-10-19-2/h3-8,11-12,18H,9-10H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-[5-[4-(2-methoxyethyl)phenoxy]-2-pyridinyl]ethanol?
(1S)-1-[5-[4-(2-methoxyethyl)phenoxy]-2-pyridinyl]ethanol has a molecular weight of 273.33 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-[4-(2-methoxyethyl)phenoxy]-2-pyridinyl]ethanol is sourced from PubChem (CID 83124503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).