tert-butyl 2-[3-[(5-hydroxy-2-pyridinyl)oxy]phenoxy]acetate

C17H19NO5 — CID 170636951

IUPACtert-butyl 2-[3-[(5-hydroxy-2-pyridinyl)oxy]phenoxy]acetate
SMILESCC(C)(C)OC(=O)COc1cccc(Oc2ccc(O)cn2)c1
InChIInChI=1S/C17H19NO5/c1-17(2,3)23-16(20)11-21-13-5-4-6-14(9-13)22-15-8-7-12(19)10-18-15/h4-10,19H,11H2,1-3H3
InChIKeyMNMUCFIOIYSJAA-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.30
Rot. Bonds5

About tert-butyl 2-[3-[(5-hydroxy-2-pyridinyl)oxy]phenoxy]acetate

tert-butyl 2-[3-[(5-hydroxy-2-pyridinyl)oxy]phenoxy]acetate (PubChem CID 170636951) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is tert-butyl 2-[3-[(5-hydroxy-2-pyridinyl)oxy]phenoxy]acetate.

Molecular Properties

Compound Nametert-butyl 2-[3-[(5-hydroxy-2-pyridinyl)oxy]phenoxy]acetate
PubChem CID170636951
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Nametert-butyl 2-[3-[(5-hydroxy-2-pyridinyl)oxy]phenoxy]acetate
SMILESCC(C)(C)OC(=O)COc1cccc(Oc2ccc(O)cn2)c1
InChIInChI=1S/C17H19NO5/c1-17(2,3)23-16(20)11-21-13-5-4-6-14(9-13)22-15-8-7-12(19)10-18-15/h4-10,19H,11H2,1-3H3
InChIKeyMNMUCFIOIYSJAA-UHFFFAOYSA-N
XLogP3.30
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 2-[3-[(5-hydroxy-2-pyridinyl)oxy]phenoxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-(3-fluoro-5-hydroxyphenoxy)acetate
CID 70843236
tert-butyl 2-(3-ethyl-5-hydroxyphenoxy)acetate
CID 58944391
tert-butyl 2-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenoxy]acetate
CID 167478711
tert-butyl 2-[3-(2-cyanoethyl)phenoxy]acetate
CID 91047501
tert-butyl 2-[3-(3,4-dimethoxyphenyl)phenoxy]acetate
CID 67720502
tert-butyl 2-(4-benzoyl-3-hydroxyphenoxy)acetate
CID 146550205
tert-butyl N-[3-[(5-amino-2-pyridinyl)oxy]phenyl]carbamate
CID 57387079
methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 6420588
tert-butyl 2-[3-[4-(3-hydroxyphenyl)hexan-2-yl]phenoxy]acetate
CID 58325712
(3-methoxyphenyl)-bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfanium
CID 22901762
diphenyl-[2,4,6-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfanium
CID 22057125
tert-butyl 2-[3-[[(4-pyrazin-2-ylphenyl)methylamino]methyl]phenoxy]acetate
CID 54174241

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-[(5-hydroxy-2-pyridinyl)oxy]phenoxy]acetate?
The IUPAC name of tert-butyl 2-[3-[(5-hydroxy-2-pyridinyl)oxy]phenoxy]acetate (CID 170636951) is tert-butyl 2-[3-[(5-hydroxy-2-pyridinyl)oxy]phenoxy]acetate.
What is the SMILES notation for tert-butyl 2-[3-[(5-hydroxy-2-pyridinyl)oxy]phenoxy]acetate?
The canonical SMILES for tert-butyl 2-[3-[(5-hydroxy-2-pyridinyl)oxy]phenoxy]acetate is CC(C)(C)OC(=O)COc1cccc(Oc2ccc(O)cn2)c1.
What is the InChIKey of tert-butyl 2-[3-[(5-hydroxy-2-pyridinyl)oxy]phenoxy]acetate?
The InChIKey is MNMUCFIOIYSJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c1-17(2,3)23-16(20)11-21-13-5-4-6-14(9-13)22-15-8-7-12(19)10-18-15/h4-10,19H,11H2,1-3H3.
What are the key properties of tert-butyl 2-[3-[(5-hydroxy-2-pyridinyl)oxy]phenoxy]acetate?
tert-butyl 2-[3-[(5-hydroxy-2-pyridinyl)oxy]phenoxy]acetate has a molecular weight of 317.34 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[3-[(5-hydroxy-2-pyridinyl)oxy]phenoxy]acetate is sourced from PubChem (CID 170636951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).