ethyl 2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-oxoacetate

C15H20O4 — CID 95470469

IUPACethyl 2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-oxoacetate
SMILESCCOC(=O)C(=O)c1cc(C(C)C)c(OC)cc1C
InChIInChI=1S/C15H20O4/c1-6-19-15(17)14(16)12-8-11(9(2)3)13(18-5)7-10(12)4/h7-9H,6H2,1-5H3
InChIKeyAUFGXHCCGSJZAA-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.87
Rot. Bonds5

About ethyl 2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-oxoacetate

ethyl 2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-oxoacetate (PubChem CID 95470469) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-oxoacetate
PubChem CID95470469
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Nameethyl 2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-oxoacetate
SMILESCCOC(=O)C(=O)c1cc(C(C)C)c(OC)cc1C
InChIInChI=1S/C15H20O4/c1-6-19-15(17)14(16)12-8-11(9(2)3)13(18-5)7-10(12)4/h7-9H,6H2,1-5H3
InChIKeyAUFGXHCCGSJZAA-UHFFFAOYSA-N
XLogP2.87
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propane-1,2-dione
CID 116822637
ethyl 2-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)-2-oxoacetate
CID 117378873
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methylbutan-1-one
CID 94978273
3-chloro-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propan-1-one
CID 94978468
ethyl 2-(2-chloro-3-methoxy-5-propan-2-ylphenyl)-2-oxoacetate
CID 117458393
2-(ethylamino)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanone
CID 94978289
4-ethoxy-2-methyl-5-propan-2-ylbenzamide
CID 82266051
ethyl 4-(4-methoxy-2-methyl-5-propan-2-ylbenzoyl)-1,4-diazepane-1-carboxylate
CID 110808989
ethyl 2-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-oxoacetate
CID 117419486
4-methoxy-2-methyl-N-(2-methylpropyl)-5-propan-2-ylbenzamide
CID 83405819
(1-aminocyclopropyl)-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone
CID 116924291
4-methoxy-N',2-dimethyl-5-propan-2-ylbenzohydrazide
CID 116846868

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-oxoacetate?
The IUPAC name of ethyl 2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-oxoacetate (CID 95470469) is ethyl 2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-oxoacetate?
The canonical SMILES for ethyl 2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-oxoacetate is CCOC(=O)C(=O)c1cc(C(C)C)c(OC)cc1C.
What is the InChIKey of ethyl 2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-oxoacetate?
The InChIKey is AUFGXHCCGSJZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-6-19-15(17)14(16)12-8-11(9(2)3)13(18-5)7-10(12)4/h7-9H,6H2,1-5H3.
What are the key properties of ethyl 2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-oxoacetate?
ethyl 2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-oxoacetate has a molecular weight of 264.32 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-oxoacetate is sourced from PubChem (CID 95470469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).