tert-butyl 2-(3-fluoro-5-hydroxyphenoxy)acetate

C12H15FO4 — CID 70843236

IUPACtert-butyl 2-(3-fluoro-5-hydroxyphenoxy)acetate
SMILESCC(C)(C)OC(=O)COc1cc(O)cc(F)c1
InChIInChI=1S/C12H15FO4/c1-12(2,3)17-11(15)7-16-10-5-8(13)4-9(14)6-10/h4-6,14H,7H2,1-3H3
InChIKeyNVDPLJFPTDAEAE-UHFFFAOYSA-N
MW242.25 g/mol
LogP2.25
Rot. Bonds3

About tert-butyl 2-(3-fluoro-5-hydroxyphenoxy)acetate

tert-butyl 2-(3-fluoro-5-hydroxyphenoxy)acetate (PubChem CID 70843236) has the molecular formula C12H15FO4 and a molecular weight of 242.25 g/mol. Its IUPAC name is tert-butyl 2-(3-fluoro-5-hydroxyphenoxy)acetate.

Molecular Properties

Compound Nametert-butyl 2-(3-fluoro-5-hydroxyphenoxy)acetate
PubChem CID70843236
Molecular FormulaC12H15FO4
Molecular Weight242.25 g/mol
Exact Mass242.10
IUPAC Nametert-butyl 2-(3-fluoro-5-hydroxyphenoxy)acetate
SMILESCC(C)(C)OC(=O)COc1cc(O)cc(F)c1
InChIInChI=1S/C12H15FO4/c1-12(2,3)17-11(15)7-16-10-5-8(13)4-9(14)6-10/h4-6,14H,7H2,1-3H3
InChIKeyNVDPLJFPTDAEAE-UHFFFAOYSA-N
XLogP2.25
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-(3-ethyl-5-hydroxyphenoxy)acetate
CID 58944391
tert-butyl 2-[4-(4-fluorophenoxy)phenoxy]acetate
CID 163740142
tert-butyl 2-[3-(hydroxymethyl)-5-methylphenoxy]acetate
CID 70899434
1-(3,5-difluorophenoxy)-3,3-dimethylbutan-2-one
CID 62784864
tert-butyl 2-(2,4,5-trifluorophenoxy)acetate
CID 91623166
tert-butyl 2-[4-[1,1-bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]ethyl]phenoxy]acetate
CID 23023013
tert-butyl 2-[3-[(5-hydroxy-2-pyridinyl)oxy]phenoxy]acetate
CID 170636951
1-(3,5-difluorophenoxy)-3-methoxypropan-2-one
CID 107508147
[3,5-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;4-fluorobenzenesulfonate
CID 22057372
tert-butyl 2-(4-benzoyl-3-hydroxyphenoxy)acetate
CID 146550205
diphenyl-[2,4,6-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfanium
CID 22057125
tert-butyl 2-(4-formylphenoxy)acetate
CID 639902

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-fluoro-5-hydroxyphenoxy)acetate?
The IUPAC name of tert-butyl 2-(3-fluoro-5-hydroxyphenoxy)acetate (CID 70843236) is tert-butyl 2-(3-fluoro-5-hydroxyphenoxy)acetate.
What is the SMILES notation for tert-butyl 2-(3-fluoro-5-hydroxyphenoxy)acetate?
The canonical SMILES for tert-butyl 2-(3-fluoro-5-hydroxyphenoxy)acetate is CC(C)(C)OC(=O)COc1cc(O)cc(F)c1.
What is the InChIKey of tert-butyl 2-(3-fluoro-5-hydroxyphenoxy)acetate?
The InChIKey is NVDPLJFPTDAEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO4/c1-12(2,3)17-11(15)7-16-10-5-8(13)4-9(14)6-10/h4-6,14H,7H2,1-3H3.
What are the key properties of tert-butyl 2-(3-fluoro-5-hydroxyphenoxy)acetate?
tert-butyl 2-(3-fluoro-5-hydroxyphenoxy)acetate has a molecular weight of 242.25 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-fluoro-5-hydroxyphenoxy)acetate is sourced from PubChem (CID 70843236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).