6-[(2R)-1-[4-(4-hydroxyphenoxy)phenoxy]propan-2-yl]oxypyridin-3-ol

C20H19NO5 — CID 162919381

IUPAC6-[(2R)-1-[4-(4-hydroxyphenoxy)phenoxy]propan-2-yl]oxypyridin-3-ol
SMILESC[C@H](COc1ccc(Oc2ccc(O)cc2)cc1)Oc1ccc(O)cn1
InChIInChI=1S/C20H19NO5/c1-14(25-20-11-4-16(23)12-21-20)13-24-17-7-9-19(10-8-17)26-18-5-2-15(22)3-6-18/h2-12,14,22-23H,13H2,1H3/t14-/m1/s1
InChIKeyVAYKPSKEGIJGQL-CQSZACIVSA-N
MW353.37 g/mol
LogP4.13
Rot. Bonds7

About 6-[(2R)-1-[4-(4-hydroxyphenoxy)phenoxy]propan-2-yl]oxypyridin-3-ol

6-[(2R)-1-[4-(4-hydroxyphenoxy)phenoxy]propan-2-yl]oxypyridin-3-ol (PubChem CID 162919381) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is 6-[(2R)-1-[4-(4-hydroxyphenoxy)phenoxy]propan-2-yl]oxypyridin-3-ol.

Molecular Properties

Compound Name6-[(2R)-1-[4-(4-hydroxyphenoxy)phenoxy]propan-2-yl]oxypyridin-3-ol
PubChem CID162919381
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name6-[(2R)-1-[4-(4-hydroxyphenoxy)phenoxy]propan-2-yl]oxypyridin-3-ol
SMILESC[C@H](COc1ccc(Oc2ccc(O)cc2)cc1)Oc1ccc(O)cn1
InChIInChI=1S/C20H19NO5/c1-14(25-20-11-4-16(23)12-21-20)13-24-17-7-9-19(10-8-17)26-18-5-2-15(22)3-6-18/h2-12,14,22-23H,13H2,1H3/t14-/m1/s1
InChIKeyVAYKPSKEGIJGQL-CQSZACIVSA-N
XLogP4.13
TPSA81.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-1-[4-(4-hydroxyphenoxy)phenoxy]propan-2-yl]oxypyridin-3-ol?
The IUPAC name of 6-[(2R)-1-[4-(4-hydroxyphenoxy)phenoxy]propan-2-yl]oxypyridin-3-ol (CID 162919381) is 6-[(2R)-1-[4-(4-hydroxyphenoxy)phenoxy]propan-2-yl]oxypyridin-3-ol.
What is the SMILES notation for 6-[(2R)-1-[4-(4-hydroxyphenoxy)phenoxy]propan-2-yl]oxypyridin-3-ol?
The canonical SMILES for 6-[(2R)-1-[4-(4-hydroxyphenoxy)phenoxy]propan-2-yl]oxypyridin-3-ol is C[C@H](COc1ccc(Oc2ccc(O)cc2)cc1)Oc1ccc(O)cn1.
What is the InChIKey of 6-[(2R)-1-[4-(4-hydroxyphenoxy)phenoxy]propan-2-yl]oxypyridin-3-ol?
The InChIKey is VAYKPSKEGIJGQL-CQSZACIVSA-N. The full InChI is InChI=1S/C20H19NO5/c1-14(25-20-11-4-16(23)12-21-20)13-24-17-7-9-19(10-8-17)26-18-5-2-15(22)3-6-18/h2-12,14,22-23H,13H2,1H3/t14-/m1/s1.
What are the key properties of 6-[(2R)-1-[4-(4-hydroxyphenoxy)phenoxy]propan-2-yl]oxypyridin-3-ol?
6-[(2R)-1-[4-(4-hydroxyphenoxy)phenoxy]propan-2-yl]oxypyridin-3-ol has a molecular weight of 353.37 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-1-[4-(4-hydroxyphenoxy)phenoxy]propan-2-yl]oxypyridin-3-ol is sourced from PubChem (CID 162919381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).