tert-butyl 2-[4-(2-hydroxyethyl)phenoxy]-2-methylpropanoate

C16H24O4 — CID 24754221

IUPACtert-butyl 2-[4-(2-hydroxyethyl)phenoxy]-2-methylpropanoate
SMILESCC(C)(C)OC(=O)C(C)(C)Oc1ccc(CCO)cc1
InChIInChI=1S/C16H24O4/c1-15(2,3)20-14(18)16(4,5)19-13-8-6-12(7-9-13)10-11-17/h6-9,17H,10-11H2,1-5H3
InChIKeyKUMRDWNGTDKGMW-UHFFFAOYSA-N
MW280.36 g/mol
LogP2.72
Rot. Bonds5

About tert-butyl 2-[4-(2-hydroxyethyl)phenoxy]-2-methylpropanoate

tert-butyl 2-[4-(2-hydroxyethyl)phenoxy]-2-methylpropanoate (PubChem CID 24754221) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is tert-butyl 2-[4-(2-hydroxyethyl)phenoxy]-2-methylpropanoate.

Molecular Properties

Compound Nametert-butyl 2-[4-(2-hydroxyethyl)phenoxy]-2-methylpropanoate
PubChem CID24754221
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Nametert-butyl 2-[4-(2-hydroxyethyl)phenoxy]-2-methylpropanoate
SMILESCC(C)(C)OC(=O)C(C)(C)Oc1ccc(CCO)cc1
InChIInChI=1S/C16H24O4/c1-15(2,3)20-14(18)16(4,5)19-13-8-6-12(7-9-13)10-11-17/h6-9,17H,10-11H2,1-5H3
InChIKeyKUMRDWNGTDKGMW-UHFFFAOYSA-N
XLogP2.72
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-methyl-2-[4-[3-oxo-3-(propylamino)propyl]phenoxy]propanoate
CID 18766558
tert-butyl 2-methyl-2-[4-[2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]phenoxy]propanoate
CID 59643448
tert-butyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate
CID 46841627
tert-butyl (E)-3-[4-(2-hydroxyethyl)phenoxy]prop-2-enoate
CID 46841629
tert-butyl 2-methyl-2-[4-[4-oxo-4-[2-(propylcarbamoyl)hydrazinyl]butyl]phenoxy]propanoate
CID 11316150
tert-butyl N-[2-[4-(2-hydroxyethyl)phenyl]ethyl]carbamate
CID 91185994
tert-butyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
CID 21299693
2-(4-fluorophenoxy)-N-[4-(2-hydroxyethyl)phenyl]-2-methylpropanamide
CID 110902168
tert-butyl 2-[4-[[2-methoxyethyl(2-oxoethyl)amino]methyl]phenoxy]-2-methylpropanoate
CID 142133055
tert-butyl 2-methyl-2-[4-[3-oxo-3-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]propyl]phenoxy]propanoate
CID 59180294
tert-butyl 2-[4-[3-[3-[(4-tert-butylphenyl)methyl]-4-hydroxy-2-oxo-1H-imidazol-5-yl]propyl]phenoxy]-2-methylpropanoate
CID 91322661
tert-butyl 2-[3-(3-aminopropyl)phenoxy]-2-methylpropanoate
CID 18766464

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-(2-hydroxyethyl)phenoxy]-2-methylpropanoate?
The IUPAC name of tert-butyl 2-[4-(2-hydroxyethyl)phenoxy]-2-methylpropanoate (CID 24754221) is tert-butyl 2-[4-(2-hydroxyethyl)phenoxy]-2-methylpropanoate.
What is the SMILES notation for tert-butyl 2-[4-(2-hydroxyethyl)phenoxy]-2-methylpropanoate?
The canonical SMILES for tert-butyl 2-[4-(2-hydroxyethyl)phenoxy]-2-methylpropanoate is CC(C)(C)OC(=O)C(C)(C)Oc1ccc(CCO)cc1.
What is the InChIKey of tert-butyl 2-[4-(2-hydroxyethyl)phenoxy]-2-methylpropanoate?
The InChIKey is KUMRDWNGTDKGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-15(2,3)20-14(18)16(4,5)19-13-8-6-12(7-9-13)10-11-17/h6-9,17H,10-11H2,1-5H3.
What are the key properties of tert-butyl 2-[4-(2-hydroxyethyl)phenoxy]-2-methylpropanoate?
tert-butyl 2-[4-(2-hydroxyethyl)phenoxy]-2-methylpropanoate has a molecular weight of 280.36 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-(2-hydroxyethyl)phenoxy]-2-methylpropanoate is sourced from PubChem (CID 24754221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).