tert-butyl 2-ethyl-4-(4-hydroxyphenyl)pentanoate

C17H26O3 — CID 59893070

IUPACtert-butyl 2-ethyl-4-(4-hydroxyphenyl)pentanoate
SMILESCCC(CC(C)c1ccc(O)cc1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H26O3/c1-6-13(16(19)20-17(3,4)5)11-12(2)14-7-9-15(18)10-8-14/h7-10,12-13,18H,6,11H2,1-5H3
InChIKeyOZLWOANXVGPOQU-UHFFFAOYSA-N
MW278.39 g/mol
LogP4.25
Rot. Bonds5

About tert-butyl 2-ethyl-4-(4-hydroxyphenyl)pentanoate

tert-butyl 2-ethyl-4-(4-hydroxyphenyl)pentanoate (PubChem CID 59893070) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is tert-butyl 2-ethyl-4-(4-hydroxyphenyl)pentanoate.

Molecular Properties

Compound Nametert-butyl 2-ethyl-4-(4-hydroxyphenyl)pentanoate
PubChem CID59893070
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Nametert-butyl 2-ethyl-4-(4-hydroxyphenyl)pentanoate
SMILESCCC(CC(C)c1ccc(O)cc1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H26O3/c1-6-13(16(19)20-17(3,4)5)11-12(2)14-7-9-15(18)10-8-14/h7-10,12-13,18H,6,11H2,1-5H3
InChIKeyOZLWOANXVGPOQU-UHFFFAOYSA-N
XLogP4.25
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 6-[4-(1-butoxyethoxy)phenyl]-2-ethyl-4-(4-hydroxyphenyl)heptanoate
CID 156673787
butyl 2-ethyl-4-(4-hydroxyphenyl)pentanoate;methane
CID 159769667
tert-butyl 2-ethyl-8-(4-hydroxyphenyl)-6-[4-[1-[[4-[1-[4-[2-(4-hydroxyphenyl)-8-[(2-methylpropan-2-yl)oxycarbonyl]-6-phenyldecan-4-yl]phenoxy]ethoxymethyl]cyclohexyl]methoxy]ethoxy]phenyl]-4-phenylnonanoate
CID 59872852
tert-butyl N-[(2S)-2-(4-hydroxyphenyl)propyl]carbamate
CID 129383215
ditert-butyl 2-[amino-(4-hydroxyphenyl)methyl]propanedioate
CID 174570665
tert-butyl [4-[1-ethyl-3-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]butyl]phenyl] carbonate
CID 18730244
tert-butyl 4-[6-(4-hydroxyphenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]octan-4-yl]benzoate
CID 54252059
4-butan-2-ylphenol;(4-hydroxyphenyl) 2,2-dimethylbutanoate
CID 162034516
tert-butyl 2-(hydroxymethyl)butanoate
CID 87790819
tert-butyl (2S)-2-(aminomethyl)butanoate
CID 129371399
4-butan-2-ylphenol;2,3,4-trimethylpent-3-en-2-yl 2,2-dimethylbutanoate
CID 158966534
tert-butyl 2-(4-hydroxyphenyl)-2-[3-[[1-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propylamino]acetate
CID 101086089

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-ethyl-4-(4-hydroxyphenyl)pentanoate?
The IUPAC name of tert-butyl 2-ethyl-4-(4-hydroxyphenyl)pentanoate (CID 59893070) is tert-butyl 2-ethyl-4-(4-hydroxyphenyl)pentanoate.
What is the SMILES notation for tert-butyl 2-ethyl-4-(4-hydroxyphenyl)pentanoate?
The canonical SMILES for tert-butyl 2-ethyl-4-(4-hydroxyphenyl)pentanoate is CCC(CC(C)c1ccc(O)cc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-ethyl-4-(4-hydroxyphenyl)pentanoate?
The InChIKey is OZLWOANXVGPOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-6-13(16(19)20-17(3,4)5)11-12(2)14-7-9-15(18)10-8-14/h7-10,12-13,18H,6,11H2,1-5H3.
What are the key properties of tert-butyl 2-ethyl-4-(4-hydroxyphenyl)pentanoate?
tert-butyl 2-ethyl-4-(4-hydroxyphenyl)pentanoate has a molecular weight of 278.39 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-ethyl-4-(4-hydroxyphenyl)pentanoate is sourced from PubChem (CID 59893070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).