tert-butyl 2-(2-methoxy-2-oxoethoxy)benzoate

C14H18O5 — CID 134353565

IUPACtert-butyl 2-(2-methoxy-2-oxoethoxy)benzoate
SMILESCOC(=O)COc1ccccc1C(=O)OC(C)(C)C
InChIInChI=1S/C14H18O5/c1-14(2,3)19-13(16)10-7-5-6-8-11(10)18-9-12(15)17-4/h5-8H,9H2,1-4H3
InChIKeyKTURVVSEIZANNH-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.19
Rot. Bonds4

About tert-butyl 2-(2-methoxy-2-oxoethoxy)benzoate

tert-butyl 2-(2-methoxy-2-oxoethoxy)benzoate (PubChem CID 134353565) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is tert-butyl 2-(2-methoxy-2-oxoethoxy)benzoate.

Molecular Properties

Compound Nametert-butyl 2-(2-methoxy-2-oxoethoxy)benzoate
PubChem CID134353565
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Nametert-butyl 2-(2-methoxy-2-oxoethoxy)benzoate
SMILESCOC(=O)COc1ccccc1C(=O)OC(C)(C)C
InChIInChI=1S/C14H18O5/c1-14(2,3)19-13(16)10-7-5-6-8-11(10)18-9-12(15)17-4/h5-8H,9H2,1-4H3
InChIKeyKTURVVSEIZANNH-UHFFFAOYSA-N
XLogP2.19
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxy-2-oxoethoxy)benzoic acid
CID 11218054
methyl 2-(2-carbamoylphenoxy)acetate
CID 2772027
tert-butyl 2-(6-bromohexoxy)benzoate
CID 166524944
tert-butyl 2-[2-(1-methoxyethoxy)ethoxy]benzoate
CID 59950369
tert-butyl 2-butoxybenzoate;methylcarbamic acid
CID 143334798
methyl 2-[2-[2-(dimethylamino)acetyl]phenoxy]acetate
CID 162353946
methyl 2-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenoxy]acetate
CID 169468759
CID 71111006
CID 71111006
CID 58544147
CID 58544147
CID 70180959
CID 70180959
methyl 2-(2-sulfamoylphenoxy)acetate
CID 15702321
tert-butyl 2-[2-(2-hydroxyethoxy)phenoxy]acetate
CID 142585494

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-methoxy-2-oxoethoxy)benzoate?
The IUPAC name of tert-butyl 2-(2-methoxy-2-oxoethoxy)benzoate (CID 134353565) is tert-butyl 2-(2-methoxy-2-oxoethoxy)benzoate.
What is the SMILES notation for tert-butyl 2-(2-methoxy-2-oxoethoxy)benzoate?
The canonical SMILES for tert-butyl 2-(2-methoxy-2-oxoethoxy)benzoate is COC(=O)COc1ccccc1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(2-methoxy-2-oxoethoxy)benzoate?
The InChIKey is KTURVVSEIZANNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-14(2,3)19-13(16)10-7-5-6-8-11(10)18-9-12(15)17-4/h5-8H,9H2,1-4H3.
What are the key properties of tert-butyl 2-(2-methoxy-2-oxoethoxy)benzoate?
tert-butyl 2-(2-methoxy-2-oxoethoxy)benzoate has a molecular weight of 266.29 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-methoxy-2-oxoethoxy)benzoate is sourced from PubChem (CID 134353565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).