ethyl 2-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-2-oxoacetate

C15H20O4 — CID 117415024

IUPACethyl 2-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-2-oxoacetate
SMILESCCOC(=O)C(=O)c1cc(C(C)(C)CC)ccc1O
InChIInChI=1S/C15H20O4/c1-5-15(3,4)10-7-8-12(16)11(9-10)13(17)14(18)19-6-2/h7-9,16H,5-6H2,1-4H3
InChIKeyZXTDYNXJIXYANE-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.83
Rot. Bonds5

About ethyl 2-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-2-oxoacetate

ethyl 2-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-2-oxoacetate (PubChem CID 117415024) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 2-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-2-oxoacetate
PubChem CID117415024
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Nameethyl 2-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-2-oxoacetate
SMILESCCOC(=O)C(=O)c1cc(C(C)(C)CC)ccc1O
InChIInChI=1S/C15H20O4/c1-5-15(3,4)10-7-8-12(16)11(9-10)13(17)14(18)19-6-2/h7-9,16H,5-6H2,1-4H3
InChIKeyZXTDYNXJIXYANE-UHFFFAOYSA-N
XLogP2.83
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-(2-ethoxy-2-oxoacetyl)-2,4-dihydroxybenzoic acid
CID 117388254
ethyl 2-[5-(1,1-difluoroethyl)-2-fluorophenyl]-2-oxoacetate
CID 117404212
2-ethyl-4-(2-methylbutan-2-yl)phenol
CID 13132257
2,4-bis(2-methylbutan-2-yl)benzamide
CID 91508673
2-(5-tert-butyl-2-hydroxyphenyl)-2-oxoacetic acid
CID 117317802
1-(2-hydroxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]ethanone
CID 71616954
3-amino-2-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]propanoic acid
CID 117381731
ethyl 2-(3-chloro-4-hydroxyphenyl)-2-methylpropanoate
CID 105426673
ethyl 2-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)-2-oxoacetate
CID 117378873
5-tert-butyl-2-hydroxybenzohydrazide
CID 21447983
1-[2-hydroxy-5-[2-(4-hydroxy-3-propanoylphenyl)propan-2-yl]phenyl]propan-1-one
CID 134105467
ethyl 2-(2-fluoro-4-hydroxy-3-methoxyphenyl)-2-oxoacetate
CID 117356979

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-2-oxoacetate?
The IUPAC name of ethyl 2-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-2-oxoacetate (CID 117415024) is ethyl 2-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-2-oxoacetate?
The canonical SMILES for ethyl 2-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-2-oxoacetate is CCOC(=O)C(=O)c1cc(C(C)(C)CC)ccc1O.
What is the InChIKey of ethyl 2-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-2-oxoacetate?
The InChIKey is ZXTDYNXJIXYANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-5-15(3,4)10-7-8-12(16)11(9-10)13(17)14(18)19-6-2/h7-9,16H,5-6H2,1-4H3.
What are the key properties of ethyl 2-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-2-oxoacetate?
ethyl 2-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-2-oxoacetate has a molecular weight of 264.32 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-2-oxoacetate is sourced from PubChem (CID 117415024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).