(1S)-1-[5-(3-ethoxyphenoxy)-2-pyridinyl]propan-1-ol

C16H19NO3 — CID 103939228

IUPAC(1S)-1-[5-(3-ethoxyphenoxy)-2-pyridinyl]propan-1-ol
SMILESCCOc1cccc(Oc2ccc([C@@H](O)CC)nc2)c1
InChIInChI=1S/C16H19NO3/c1-3-16(18)15-9-8-14(11-17-15)20-13-7-5-6-12(10-13)19-4-2/h5-11,16,18H,3-4H2,1-2H3/t16-/m0/s1
InChIKeyJIYXJRZUCRIWIR-INIZCTEOSA-N
MW273.33 g/mol
LogP3.72
Rot. Bonds6

About (1S)-1-[5-(3-ethoxyphenoxy)-2-pyridinyl]propan-1-ol

(1S)-1-[5-(3-ethoxyphenoxy)-2-pyridinyl]propan-1-ol (PubChem CID 103939228) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is (1S)-1-[5-(3-ethoxyphenoxy)-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[5-(3-ethoxyphenoxy)-2-pyridinyl]propan-1-ol
PubChem CID103939228
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name(1S)-1-[5-(3-ethoxyphenoxy)-2-pyridinyl]propan-1-ol
SMILESCCOc1cccc(Oc2ccc([C@@H](O)CC)nc2)c1
InChIInChI=1S/C16H19NO3/c1-3-16(18)15-9-8-14(11-17-15)20-13-7-5-6-12(10-13)19-4-2/h5-11,16,18H,3-4H2,1-2H3/t16-/m0/s1
InChIKeyJIYXJRZUCRIWIR-INIZCTEOSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[5-(3-methoxyphenoxy)-2-pyridinyl]propan-1-ol
CID 103939075
1-[5-(3-ethoxyphenoxy)-2-pyridinyl]ethanol
CID 83124813
1-[5-(4-methoxyphenoxy)-2-pyridinyl]propan-1-ol
CID 112585568
(1S)-1-[5-(4-methoxyphenoxy)-2-pyridinyl]propan-1-ol
CID 103939120
(1R)-1-[5-(4-fluoro-3-methylphenoxy)-2-pyridinyl]propan-1-ol
CID 103939285
(1R)-1-(5-quinolin-3-yloxy-2-pyridinyl)propan-1-ol
CID 107387500
(1S)-1-(5-naphthalen-1-yloxy-2-pyridinyl)propan-1-ol
CID 103939118
1-(5-naphthalen-1-yloxy-2-pyridinyl)propan-1-ol
CID 115940536
1-[5-(3-methoxyphenoxy)-2-pyridinyl]propan-1-amine
CID 112584748
(1S)-1-[5-(2-iodophenoxy)-2-pyridinyl]propan-1-ol
CID 103939168
(1S)-1-[5-(2-methoxyphenoxy)-2-pyridinyl]propan-1-ol
CID 103939114
1-[5-(2,3-difluorophenoxy)-2-pyridinyl]propan-1-ol
CID 112585589

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(3-ethoxyphenoxy)-2-pyridinyl]propan-1-ol?
The IUPAC name of (1S)-1-[5-(3-ethoxyphenoxy)-2-pyridinyl]propan-1-ol (CID 103939228) is (1S)-1-[5-(3-ethoxyphenoxy)-2-pyridinyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[5-(3-ethoxyphenoxy)-2-pyridinyl]propan-1-ol?
The canonical SMILES for (1S)-1-[5-(3-ethoxyphenoxy)-2-pyridinyl]propan-1-ol is CCOc1cccc(Oc2ccc([C@@H](O)CC)nc2)c1.
What is the InChIKey of (1S)-1-[5-(3-ethoxyphenoxy)-2-pyridinyl]propan-1-ol?
The InChIKey is JIYXJRZUCRIWIR-INIZCTEOSA-N. The full InChI is InChI=1S/C16H19NO3/c1-3-16(18)15-9-8-14(11-17-15)20-13-7-5-6-12(10-13)19-4-2/h5-11,16,18H,3-4H2,1-2H3/t16-/m0/s1.
What are the key properties of (1S)-1-[5-(3-ethoxyphenoxy)-2-pyridinyl]propan-1-ol?
(1S)-1-[5-(3-ethoxyphenoxy)-2-pyridinyl]propan-1-ol has a molecular weight of 273.33 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(3-ethoxyphenoxy)-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 103939228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).