(2R)-1-[4-[(2R)-2-hydroxypropoxy]-2,5-dipyridin-4-ylphenoxy]propan-2-ol

C22H24N2O4 — CID 102199069

IUPAC(2R)-1-[4-[(2R)-2-hydroxypropoxy]-2,5-dipyridin-4-ylphenoxy]propan-2-ol
SMILESC[C@@H](O)COc1cc(-c2ccncc2)c(OC[C@@H](C)O)cc1-c1ccncc1
InChIInChI=1S/C22H24N2O4/c1-15(25)13-27-21-11-20(18-5-9-24-10-6-18)22(28-14-16(2)26)12-19(21)17-3-7-23-8-4-17/h3-12,15-16,25-26H,13-14H2,1-2H3/t15-,16-/m1/s1
InChIKeyOAGMJEJWMUJBIP-HZPDHXFCSA-N
MW380.44 g/mol
LogP3.33
Rot. Bonds8

About (2R)-1-[4-[(2R)-2-hydroxypropoxy]-2,5-dipyridin-4-ylphenoxy]propan-2-ol

(2R)-1-[4-[(2R)-2-hydroxypropoxy]-2,5-dipyridin-4-ylphenoxy]propan-2-ol (PubChem CID 102199069) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is (2R)-1-[4-[(2R)-2-hydroxypropoxy]-2,5-dipyridin-4-ylphenoxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[(2R)-2-hydroxypropoxy]-2,5-dipyridin-4-ylphenoxy]propan-2-ol
PubChem CID102199069
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name(2R)-1-[4-[(2R)-2-hydroxypropoxy]-2,5-dipyridin-4-ylphenoxy]propan-2-ol
SMILESC[C@@H](O)COc1cc(-c2ccncc2)c(OC[C@@H](C)O)cc1-c1ccncc1
InChIInChI=1S/C22H24N2O4/c1-15(25)13-27-21-11-20(18-5-9-24-10-6-18)22(28-14-16(2)26)12-19(21)17-3-7-23-8-4-17/h3-12,15-16,25-26H,13-14H2,1-2H3/t15-,16-/m1/s1
InChIKeyOAGMJEJWMUJBIP-HZPDHXFCSA-N
XLogP3.33
TPSA84.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4''-(6-Methoxypyridin-3-yl)biphenyl-3-ol
CID 46887511
3-[2-Methyl-3-(piperidin-4-yl)phenoxymethyl]pyridine
CID 25263319
4-[2-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-(2-methoxy-phenyl)-ethyl]-pyridine
CID 44282073
4-[(R)-2-(3-cyclopentyloxy-4-methoxy-phenyl)-2-pyridin-4-yl-ethyl]-pyridine
CID 44282464
(2S)-2-[(S)-(5-methyl-2-propan-2-ylphenoxy)-pyridin-2-ylmethyl]morpholine
CID 44579374
3-{[2-(2-Phenylethyl)phenoxy]methyl}pyridine
CID 11973810
4-[[2-(2-Phenylethyl)phenoxy]methyl]pyridine
CID 24808152
4-((2-(3-Methoxyphenethyl)phenoxy)methyl)pyridine
CID 24805442
Rac-3-((2,3-dimethylphenoxy)(piperidin-4-yl)methyl)pyridine
CID 45268898
Rac-3-((3-ethylphenoxy)(piperidin-4-yl)methyl)pyridine
CID 45270563
4-[4-Fluoro-2-(2-phenylethoxy)phenyl]pyridine
CID 118735175
3-[2-(2-Phenylethoxy)-4-(trifluoromethyl)phenyl]pyridine
CID 118735178

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[(2R)-2-hydroxypropoxy]-2,5-dipyridin-4-ylphenoxy]propan-2-ol?
The IUPAC name of (2R)-1-[4-[(2R)-2-hydroxypropoxy]-2,5-dipyridin-4-ylphenoxy]propan-2-ol (CID 102199069) is (2R)-1-[4-[(2R)-2-hydroxypropoxy]-2,5-dipyridin-4-ylphenoxy]propan-2-ol.
What is the SMILES notation for (2R)-1-[4-[(2R)-2-hydroxypropoxy]-2,5-dipyridin-4-ylphenoxy]propan-2-ol?
The canonical SMILES for (2R)-1-[4-[(2R)-2-hydroxypropoxy]-2,5-dipyridin-4-ylphenoxy]propan-2-ol is C[C@@H](O)COc1cc(-c2ccncc2)c(OC[C@@H](C)O)cc1-c1ccncc1.
What is the InChIKey of (2R)-1-[4-[(2R)-2-hydroxypropoxy]-2,5-dipyridin-4-ylphenoxy]propan-2-ol?
The InChIKey is OAGMJEJWMUJBIP-HZPDHXFCSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-15(25)13-27-21-11-20(18-5-9-24-10-6-18)22(28-14-16(2)26)12-19(21)17-3-7-23-8-4-17/h3-12,15-16,25-26H,13-14H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of (2R)-1-[4-[(2R)-2-hydroxypropoxy]-2,5-dipyridin-4-ylphenoxy]propan-2-ol?
(2R)-1-[4-[(2R)-2-hydroxypropoxy]-2,5-dipyridin-4-ylphenoxy]propan-2-ol has a molecular weight of 380.44 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[(2R)-2-hydroxypropoxy]-2,5-dipyridin-4-ylphenoxy]propan-2-ol is sourced from PubChem (CID 102199069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).