1-[5-(4-methoxyphenoxy)-2-pyridinyl]propan-1-ol

C15H17NO3 — CID 112585568

IUPAC1-[5-(4-methoxyphenoxy)-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(Oc2ccc(OC)cc2)cn1
InChIInChI=1S/C15H17NO3/c1-3-15(17)14-9-8-13(10-16-14)19-12-6-4-11(18-2)5-7-12/h4-10,15,17H,3H2,1-2H3
InChIKeyCYQKIZOPMXLCIU-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.33
Rot. Bonds5

About 1-[5-(4-methoxyphenoxy)-2-pyridinyl]propan-1-ol

1-[5-(4-methoxyphenoxy)-2-pyridinyl]propan-1-ol (PubChem CID 112585568) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-[5-(4-methoxyphenoxy)-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(4-methoxyphenoxy)-2-pyridinyl]propan-1-ol
PubChem CID112585568
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name1-[5-(4-methoxyphenoxy)-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(Oc2ccc(OC)cc2)cn1
InChIInChI=1S/C15H17NO3/c1-3-15(17)14-9-8-13(10-16-14)19-12-6-4-11(18-2)5-7-12/h4-10,15,17H,3H2,1-2H3
InChIKeyCYQKIZOPMXLCIU-UHFFFAOYSA-N
XLogP3.33
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[5-(4-methoxyphenoxy)-2-pyridinyl]propan-1-ol
CID 103939120
(1R)-1-[5-(3-methoxyphenoxy)-2-pyridinyl]propan-1-ol
CID 103939075
(1S)-1-[5-(2-methoxyphenoxy)-2-pyridinyl]propan-1-ol
CID 103939114
1-[5-(4-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 115940555
(1R)-1-(5-quinolin-3-yloxy-2-pyridinyl)propan-1-ol
CID 107387500
(1S)-1-[5-(3-ethoxyphenoxy)-2-pyridinyl]propan-1-ol
CID 103939228
1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]propan-1-ol
CID 115940517
1-(5-naphthalen-1-yloxy-2-pyridinyl)propan-1-ol
CID 115940536
(1S)-1-(5-naphthalen-1-yloxy-2-pyridinyl)propan-1-ol
CID 103939118
(1R)-1-[5-(4-fluoro-3-methylphenoxy)-2-pyridinyl]propan-1-ol
CID 103939285
(1S)-1-[5-(2-iodophenoxy)-2-pyridinyl]propan-1-ol
CID 103939168
1-[5-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]propan-1-ol
CID 115940525

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methoxyphenoxy)-2-pyridinyl]propan-1-ol?
The IUPAC name of 1-[5-(4-methoxyphenoxy)-2-pyridinyl]propan-1-ol (CID 112585568) is 1-[5-(4-methoxyphenoxy)-2-pyridinyl]propan-1-ol.
What is the SMILES notation for 1-[5-(4-methoxyphenoxy)-2-pyridinyl]propan-1-ol?
The canonical SMILES for 1-[5-(4-methoxyphenoxy)-2-pyridinyl]propan-1-ol is CCC(O)c1ccc(Oc2ccc(OC)cc2)cn1.
What is the InChIKey of 1-[5-(4-methoxyphenoxy)-2-pyridinyl]propan-1-ol?
The InChIKey is CYQKIZOPMXLCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-3-15(17)14-9-8-13(10-16-14)19-12-6-4-11(18-2)5-7-12/h4-10,15,17H,3H2,1-2H3.
What are the key properties of 1-[5-(4-methoxyphenoxy)-2-pyridinyl]propan-1-ol?
1-[5-(4-methoxyphenoxy)-2-pyridinyl]propan-1-ol has a molecular weight of 259.31 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methoxyphenoxy)-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 112585568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).