ethyl 2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2-hydroxyacetate

C15H22O4 — CID 117420045

IUPACethyl 2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cc(C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C15H22O4/c1-6-19-14(18)13(17)10-7-9(2)12(16)11(8-10)15(3,4)5/h7-8,13,16-17H,6H2,1-5H3
InChIKeyKAPWJGMSKNRTQM-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.59
Rot. Bonds3

About ethyl 2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2-hydroxyacetate

ethyl 2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2-hydroxyacetate (PubChem CID 117420045) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethyl 2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2-hydroxyacetate
PubChem CID117420045
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Nameethyl 2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cc(C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C15H22O4/c1-6-19-14(18)13(17)10-7-9(2)12(16)11(8-10)15(3,4)5/h7-8,13,16-17H,6H2,1-5H3
InChIKeyKAPWJGMSKNRTQM-UHFFFAOYSA-N
XLogP2.59
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(3-cyano-4-hydroxy-5-methylphenyl)-2-hydroxyacetate
CID 117341793
2-tert-butyl-4-[1-(3-tert-butyl-4-hydroxy-5-methylphenyl)butyl]-6-methylphenol
CID 22019961
ethyl (2R)-2-amino-3,3-bis(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 92844540
ethyl (2S)-2-(4-tert-butylphenyl)-2-hydroxyacetate
CID 94376486
2-tert-butyl-6-methyl-4-[1,2,2-tris(3-tert-butyl-4-hydroxy-5-methylphenyl)ethyl]phenol
CID 22725885
2,2-bis(3-tert-butyl-4-hydroxy-5-methylphenyl)acetic acid
CID 21455364
ethyl 2-(3,5-difluoro-4-hydroxyphenyl)-2-hydroxyacetate
CID 117335732
2-(3-tert-butyl-4-hydroxy-5-methylphenyl)octadecyl propanoate
CID 175577353
ethyl 2-(3-tert-butyl-2-hydroxyphenyl)-2-hydroxyacetate
CID 117383969
ethyl 2-(3,4-dihydroxyphenyl)-2-hydroxyacetate
CID 69387082
1-[3,5-bis[1-[2-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoyloxy]decyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]decyl 2-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate
CID 139646380
(3,5-ditert-butyl-4-hydroxyphenyl) 2-methylpropanoate;ethyl acetate
CID 158750681

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2-hydroxyacetate?
The IUPAC name of ethyl 2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2-hydroxyacetate (CID 117420045) is ethyl 2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2-hydroxyacetate?
The canonical SMILES for ethyl 2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2-hydroxyacetate is CCOC(=O)C(O)c1cc(C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of ethyl 2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2-hydroxyacetate?
The InChIKey is KAPWJGMSKNRTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-6-19-14(18)13(17)10-7-9(2)12(16)11(8-10)15(3,4)5/h7-8,13,16-17H,6H2,1-5H3.
What are the key properties of ethyl 2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2-hydroxyacetate?
ethyl 2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2-hydroxyacetate has a molecular weight of 266.34 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117420045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).