tert-butyl 2-[3-(3,4-dimethoxyphenyl)phenoxy]acetate

C20H24O5 — CID 67720502

IUPACtert-butyl 2-[3-(3,4-dimethoxyphenyl)phenoxy]acetate
SMILESCOc1ccc(-c2cccc(OCC(=O)OC(C)(C)C)c2)cc1OC
InChIInChI=1S/C20H24O5/c1-20(2,3)25-19(21)13-24-16-8-6-7-14(11-16)15-9-10-17(22-4)18(12-15)23-5/h6-12H,13H2,1-5H3
InChIKeyZMXDLIURDWRJMO-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.09
Rot. Bonds6

About tert-butyl 2-[3-(3,4-dimethoxyphenyl)phenoxy]acetate

tert-butyl 2-[3-(3,4-dimethoxyphenyl)phenoxy]acetate (PubChem CID 67720502) has the molecular formula C20H24O5 and a molecular weight of 344.41 g/mol. Its IUPAC name is tert-butyl 2-[3-(3,4-dimethoxyphenyl)phenoxy]acetate.

Molecular Properties

Compound Nametert-butyl 2-[3-(3,4-dimethoxyphenyl)phenoxy]acetate
PubChem CID67720502
Molecular FormulaC20H24O5
Molecular Weight344.41 g/mol
Exact Mass344.16
IUPAC Nametert-butyl 2-[3-(3,4-dimethoxyphenyl)phenoxy]acetate
SMILESCOc1ccc(-c2cccc(OCC(=O)OC(C)(C)C)c2)cc1OC
InChIInChI=1S/C20H24O5/c1-20(2,3)25-19(21)13-24-16-8-6-7-14(11-16)15-9-10-17(22-4)18(12-15)23-5/h6-12H,13H2,1-5H3
InChIKeyZMXDLIURDWRJMO-UHFFFAOYSA-N
XLogP4.09
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-(2-methoxy-4-nitrophenoxy)acetate
CID 58858118
tert-butyl 2-[2-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxyacetate
CID 69027346
tert-butyl 2-(4-amino-2-methoxyphenoxy)acetate
CID 58858064
tert-butyl 2-[3-[3-[4,5-dimethoxy-2-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]phenoxy]acetate
CID 146315638
tert-butyl 2-[3-[1-hydroxy-3-(4-methoxy-3-methylphenyl)propyl]phenoxy]acetate
CID 123648817
tert-butyl 2-(5-formyl-2-methoxyphenoxy)acetate
CID 171130082
tert-butyl 2-[3-[3-(2-fluoro-4,5-dimethoxyphenyl)-1-hydroxypropyl]phenoxy]acetate
CID 146315607
(3-methoxyphenyl)-bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfanium
CID 22901762
tert-butyl 2-[3-[3-(3,4-dimethoxyphenyl)propanoyl]-4-fluorophenoxy]acetate
CID 146315490
tert-butyl 2-[[5-[3-(3,4-dimethoxyphenyl)propyl]-3-pyridinyl]oxy]acetate
CID 167288187
[3-[4-methoxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]phenyl] propanoate
CID 139993960
3-[3-[2-(3,4-dimethoxyphenyl)ethoxy]phenyl]benzoic acid
CID 66858506

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-(3,4-dimethoxyphenyl)phenoxy]acetate?
The IUPAC name of tert-butyl 2-[3-(3,4-dimethoxyphenyl)phenoxy]acetate (CID 67720502) is tert-butyl 2-[3-(3,4-dimethoxyphenyl)phenoxy]acetate.
What is the SMILES notation for tert-butyl 2-[3-(3,4-dimethoxyphenyl)phenoxy]acetate?
The canonical SMILES for tert-butyl 2-[3-(3,4-dimethoxyphenyl)phenoxy]acetate is COc1ccc(-c2cccc(OCC(=O)OC(C)(C)C)c2)cc1OC.
What is the InChIKey of tert-butyl 2-[3-(3,4-dimethoxyphenyl)phenoxy]acetate?
The InChIKey is ZMXDLIURDWRJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O5/c1-20(2,3)25-19(21)13-24-16-8-6-7-14(11-16)15-9-10-17(22-4)18(12-15)23-5/h6-12H,13H2,1-5H3.
What are the key properties of tert-butyl 2-[3-(3,4-dimethoxyphenyl)phenoxy]acetate?
tert-butyl 2-[3-(3,4-dimethoxyphenyl)phenoxy]acetate has a molecular weight of 344.41 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[3-(3,4-dimethoxyphenyl)phenoxy]acetate is sourced from PubChem (CID 67720502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).