1-(oxan-4-yloxy)-3-(4-pyridin-2-yloxyphenoxy)propan-2-ol

C19H23NO5 — CID 167757306

IUPAC1-(oxan-4-yloxy)-3-(4-pyridin-2-yloxyphenoxy)propan-2-ol
SMILESOC(COc1ccc(Oc2ccccn2)cc1)COC1CCOCC1
InChIInChI=1S/C19H23NO5/c21-15(14-24-17-8-11-22-12-9-17)13-23-16-4-6-18(7-5-16)25-19-3-1-2-10-20-19/h1-7,10,15,17,21H,8-9,11-14H2
InChIKeyGTQFZEYHARENBW-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.81
Rot. Bonds8

About 1-(oxan-4-yloxy)-3-(4-pyridin-2-yloxyphenoxy)propan-2-ol

1-(oxan-4-yloxy)-3-(4-pyridin-2-yloxyphenoxy)propan-2-ol (PubChem CID 167757306) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-(oxan-4-yloxy)-3-(4-pyridin-2-yloxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(oxan-4-yloxy)-3-(4-pyridin-2-yloxyphenoxy)propan-2-ol
PubChem CID167757306
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Name1-(oxan-4-yloxy)-3-(4-pyridin-2-yloxyphenoxy)propan-2-ol
SMILESOC(COc1ccc(Oc2ccccn2)cc1)COC1CCOCC1
InChIInChI=1S/C19H23NO5/c21-15(14-24-17-8-11-22-12-9-17)13-23-16-4-6-18(7-5-16)25-19-3-1-2-10-20-19/h1-7,10,15,17,21H,8-9,11-14H2
InChIKeyGTQFZEYHARENBW-UHFFFAOYSA-N
XLogP2.81
TPSA70.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-hydroxy-3-(oxan-4-yloxy)propoxy]naphthalene-1-carbonitrile
CID 167790854
N-methyl-4-(oxan-4-yl)-N-(4-pyridin-2-yloxyphenyl)aniline
CID 118954660
1-(2-ethoxynaphthalen-1-yl)oxy-3-(oxan-4-yloxy)propan-2-ol
CID 167904392
N-(4-propan-2-ylphenyl)-N-(4-pyridin-2-yloxyphenyl)oxolan-3-amine
CID 118954586
1-(2-bromo-4-fluorophenoxy)-3-(oxan-4-yloxy)propan-2-ol
CID 109414106
1-(oxan-4-yl)-2-phenoxyethanol
CID 63936275
1-(4-aminophenoxy)-3-(4,4-dimethylcyclohexyl)oxypropan-2-ol
CID 114340624
(2R)-1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-(oxan-4-yloxy)propan-2-ol
CID 124588927
1-(oxan-4-ylamino)-3-(4-phenylphenoxy)propan-2-ol;hydrochloride
CID 122714549
2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]pyridine
CID 58852476
2-(1,3-dioxolan-2-ylmethoxy)pyridine
CID 69476681
(4-pyridin-2-yloxyphenyl)hydrazine
CID 69019793

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yloxy)-3-(4-pyridin-2-yloxyphenoxy)propan-2-ol?
The IUPAC name of 1-(oxan-4-yloxy)-3-(4-pyridin-2-yloxyphenoxy)propan-2-ol (CID 167757306) is 1-(oxan-4-yloxy)-3-(4-pyridin-2-yloxyphenoxy)propan-2-ol.
What is the SMILES notation for 1-(oxan-4-yloxy)-3-(4-pyridin-2-yloxyphenoxy)propan-2-ol?
The canonical SMILES for 1-(oxan-4-yloxy)-3-(4-pyridin-2-yloxyphenoxy)propan-2-ol is OC(COc1ccc(Oc2ccccn2)cc1)COC1CCOCC1.
What is the InChIKey of 1-(oxan-4-yloxy)-3-(4-pyridin-2-yloxyphenoxy)propan-2-ol?
The InChIKey is GTQFZEYHARENBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c21-15(14-24-17-8-11-22-12-9-17)13-23-16-4-6-18(7-5-16)25-19-3-1-2-10-20-19/h1-7,10,15,17,21H,8-9,11-14H2.
What are the key properties of 1-(oxan-4-yloxy)-3-(4-pyridin-2-yloxyphenoxy)propan-2-ol?
1-(oxan-4-yloxy)-3-(4-pyridin-2-yloxyphenoxy)propan-2-ol has a molecular weight of 345.40 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yloxy)-3-(4-pyridin-2-yloxyphenoxy)propan-2-ol is sourced from PubChem (CID 167757306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).