tert-butyl 2-[2-(2-hydroxyethoxy)phenoxy]acetate

C14H20O5 — CID 142585494

IUPACtert-butyl 2-[2-(2-hydroxyethoxy)phenoxy]acetate
SMILESCC(C)(C)OC(=O)COc1ccccc1OCCO
InChIInChI=1S/C14H20O5/c1-14(2,3)19-13(16)10-18-12-7-5-4-6-11(12)17-9-8-15/h4-7,15H,8-10H2,1-3H3
InChIKeyFRIBXSLHTUCSRP-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.78
Rot. Bonds6

About tert-butyl 2-[2-(2-hydroxyethoxy)phenoxy]acetate

tert-butyl 2-[2-(2-hydroxyethoxy)phenoxy]acetate (PubChem CID 142585494) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is tert-butyl 2-[2-(2-hydroxyethoxy)phenoxy]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-(2-hydroxyethoxy)phenoxy]acetate
PubChem CID142585494
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Nametert-butyl 2-[2-(2-hydroxyethoxy)phenoxy]acetate
SMILESCC(C)(C)OC(=O)COc1ccccc1OCCO
InChIInChI=1S/C14H20O5/c1-14(2,3)19-13(16)10-18-12-7-5-4-6-11(12)17-9-8-15/h4-7,15H,8-10H2,1-3H3
InChIKeyFRIBXSLHTUCSRP-UHFFFAOYSA-N
XLogP1.78
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-[2-(2-chlorophenyl)phenoxy]acetate
CID 70673218
[2-hydroxy-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium
CID 87491705
tert-butyl 2-(3-chloro-2-iodophenoxy)acetate
CID 16741488
tert-butyl 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 58522023
tert-butyl 2-(2,3-diformylphenoxy)acetate
CID 178004978
methyl 2-methyl-3-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoate
CID 139606932
diphenyl-[2,4,6-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfanium
CID 22057125
tert-butyl 2-[4-formyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenoxy]acetate
CID 19085805
tert-butyl 2-(2-methoxy-2-oxoethoxy)benzoate
CID 134353565
tert-butyl 2-(2,3-dinitrophenoxy)acetate
CID 87079023
bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-phenylsulfanium
CID 18945723
tert-butyl 2-(4-amino-2-methoxyphenoxy)acetate
CID 58858064

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(2-hydroxyethoxy)phenoxy]acetate?
The IUPAC name of tert-butyl 2-[2-(2-hydroxyethoxy)phenoxy]acetate (CID 142585494) is tert-butyl 2-[2-(2-hydroxyethoxy)phenoxy]acetate.
What is the SMILES notation for tert-butyl 2-[2-(2-hydroxyethoxy)phenoxy]acetate?
The canonical SMILES for tert-butyl 2-[2-(2-hydroxyethoxy)phenoxy]acetate is CC(C)(C)OC(=O)COc1ccccc1OCCO.
What is the InChIKey of tert-butyl 2-[2-(2-hydroxyethoxy)phenoxy]acetate?
The InChIKey is FRIBXSLHTUCSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O5/c1-14(2,3)19-13(16)10-18-12-7-5-4-6-11(12)17-9-8-15/h4-7,15H,8-10H2,1-3H3.
What are the key properties of tert-butyl 2-[2-(2-hydroxyethoxy)phenoxy]acetate?
tert-butyl 2-[2-(2-hydroxyethoxy)phenoxy]acetate has a molecular weight of 268.31 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(2-hydroxyethoxy)phenoxy]acetate is sourced from PubChem (CID 142585494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).