tert-butyl 2-[4-(4-fluorophenoxy)phenoxy]acetate

C18H19FO4 — CID 163740142

IUPACtert-butyl 2-[4-(4-fluorophenoxy)phenoxy]acetate
SMILESCC(C)(C)OC(=O)COc1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FO4/c1-18(2,3)23-17(20)12-21-14-8-10-16(11-9-14)22-15-6-4-13(19)5-7-15/h4-11H,12H2,1-3H3
InChIKeyLHAQCIOFZNWJJU-UHFFFAOYSA-N
MW318.34 g/mol
LogP4.34
Rot. Bonds5

About tert-butyl 2-[4-(4-fluorophenoxy)phenoxy]acetate

tert-butyl 2-[4-(4-fluorophenoxy)phenoxy]acetate (PubChem CID 163740142) has the molecular formula C18H19FO4 and a molecular weight of 318.34 g/mol. Its IUPAC name is tert-butyl 2-[4-(4-fluorophenoxy)phenoxy]acetate.

Molecular Properties

Compound Nametert-butyl 2-[4-(4-fluorophenoxy)phenoxy]acetate
PubChem CID163740142
Molecular FormulaC18H19FO4
Molecular Weight318.34 g/mol
Exact Mass318.13
IUPAC Nametert-butyl 2-[4-(4-fluorophenoxy)phenoxy]acetate
SMILESCC(C)(C)OC(=O)COc1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FO4/c1-18(2,3)23-17(20)12-21-14-8-10-16(11-9-14)22-15-6-4-13(19)5-7-15/h4-11H,12H2,1-3H3
InChIKeyLHAQCIOFZNWJJU-UHFFFAOYSA-N
XLogP4.34
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

diphenyl-(4-phenylsulfanylphenyl)sulfanium;(4-fluorophenyl)-diphenylsulfanium;[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;(4-phenoxyphenyl)-diphenylsulfanium
CID 160777188
tert-butyl 2-[4-[1,1-bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]ethyl]phenoxy]acetate
CID 23023013
methyl 2-(4-fluorophenoxy)acetate
CID 580550
tert-butyl 2-(4-formylphenoxy)acetate
CID 639902
tert-butyl 2-(3-fluoro-5-hydroxyphenoxy)acetate
CID 70843236
tert-butyl 2-(4-prop-1-en-2-ylphenoxy)acetate
CID 21185662
bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-phenylsulfanium
CID 18945723
tert-butyl 2-(4-ethenylphenoxy)acetate
CID 18762166
tert-butyl 2-[4-(thiolan-1-ium-1-yl)phenoxy]acetate
CID 59080183
tert-butyl 2-[4-(2-aminoethyl)phenoxy]acetate
CID 14775456
tert-butyl 2-[4-(thian-1-ium-1-yl)phenoxy]acetate
CID 59080202
tert-butyl 2-(4-butan-2-ylphenoxy)acetate
CID 18731020

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-(4-fluorophenoxy)phenoxy]acetate?
The IUPAC name of tert-butyl 2-[4-(4-fluorophenoxy)phenoxy]acetate (CID 163740142) is tert-butyl 2-[4-(4-fluorophenoxy)phenoxy]acetate.
What is the SMILES notation for tert-butyl 2-[4-(4-fluorophenoxy)phenoxy]acetate?
The canonical SMILES for tert-butyl 2-[4-(4-fluorophenoxy)phenoxy]acetate is CC(C)(C)OC(=O)COc1ccc(Oc2ccc(F)cc2)cc1.
What is the InChIKey of tert-butyl 2-[4-(4-fluorophenoxy)phenoxy]acetate?
The InChIKey is LHAQCIOFZNWJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO4/c1-18(2,3)23-17(20)12-21-14-8-10-16(11-9-14)22-15-6-4-13(19)5-7-15/h4-11H,12H2,1-3H3.
What are the key properties of tert-butyl 2-[4-(4-fluorophenoxy)phenoxy]acetate?
tert-butyl 2-[4-(4-fluorophenoxy)phenoxy]acetate has a molecular weight of 318.34 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-(4-fluorophenoxy)phenoxy]acetate is sourced from PubChem (CID 163740142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).