2-ethoxy-2-methyl-1-(2,4,5-trimethylphenyl)propan-1-one

C15H22O2 — CID 116710232

IUPAC2-ethoxy-2-methyl-1-(2,4,5-trimethylphenyl)propan-1-one
SMILESCCOC(C)(C)C(=O)c1cc(C)c(C)cc1C
InChIInChI=1S/C15H22O2/c1-7-17-15(5,6)14(16)13-9-11(3)10(2)8-12(13)4/h8-9H,7H2,1-6H3
InChIKeyPRZOUWXVEKRVNX-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.61
Rot. Bonds4

About 2-ethoxy-2-methyl-1-(2,4,5-trimethylphenyl)propan-1-one

2-ethoxy-2-methyl-1-(2,4,5-trimethylphenyl)propan-1-one (PubChem CID 116710232) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-1-(2,4,5-trimethylphenyl)propan-1-one.

Molecular Properties

Compound Name2-ethoxy-2-methyl-1-(2,4,5-trimethylphenyl)propan-1-one
PubChem CID116710232
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-ethoxy-2-methyl-1-(2,4,5-trimethylphenyl)propan-1-one
SMILESCCOC(C)(C)C(=O)c1cc(C)c(C)cc1C
InChIInChI=1S/C15H22O2/c1-7-17-15(5,6)14(16)13-9-11(3)10(2)8-12(13)4/h8-9H,7H2,1-6H3
InChIKeyPRZOUWXVEKRVNX-UHFFFAOYSA-N
XLogP3.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-one
CID 107128425
2-ethoxy-1-(2-fluoro-5-methylphenyl)-2-methylpropan-1-one
CID 116710090
3-chloro-2,2-dimethyl-1-(2,4,5-trimethylphenyl)propan-1-one
CID 146008095
2-ethoxy-1-(3-ethylphenyl)-2-methylpropan-1-one
CID 116710309
ditert-butyl 2,5-dimethylbenzene-1,4-dicarboxylate
CID 4229880
1-(2,4,5-trimethylphenyl)butan-1-one
CID 55269935
2-ethoxy-2-methyl-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 116710279
ethyl 2-chloro-4,5-dimethylbenzoate
CID 82550536
2-O-(2,2-dimethylpropyl) 1-O-ethyl 4-chloro-5-methylbenzene-1,2-dicarboxylate
CID 69119809
tert-butyl 4-ethyl-2-methylbenzoate
CID 123623163
2,2,3,3,4,4,5,5,5-nonafluoro-1-(2,4,5-trimethylphenyl)pentan-1-one
CID 146008086
1-(4,5-dimethoxy-2-methylphenyl)-2-hydroxy-2-methylpropan-1-one
CID 116920399

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methyl-1-(2,4,5-trimethylphenyl)propan-1-one?
The IUPAC name of 2-ethoxy-2-methyl-1-(2,4,5-trimethylphenyl)propan-1-one (CID 116710232) is 2-ethoxy-2-methyl-1-(2,4,5-trimethylphenyl)propan-1-one.
What is the SMILES notation for 2-ethoxy-2-methyl-1-(2,4,5-trimethylphenyl)propan-1-one?
The canonical SMILES for 2-ethoxy-2-methyl-1-(2,4,5-trimethylphenyl)propan-1-one is CCOC(C)(C)C(=O)c1cc(C)c(C)cc1C.
What is the InChIKey of 2-ethoxy-2-methyl-1-(2,4,5-trimethylphenyl)propan-1-one?
The InChIKey is PRZOUWXVEKRVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-7-17-15(5,6)14(16)13-9-11(3)10(2)8-12(13)4/h8-9H,7H2,1-6H3.
What are the key properties of 2-ethoxy-2-methyl-1-(2,4,5-trimethylphenyl)propan-1-one?
2-ethoxy-2-methyl-1-(2,4,5-trimethylphenyl)propan-1-one has a molecular weight of 234.34 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methyl-1-(2,4,5-trimethylphenyl)propan-1-one is sourced from PubChem (CID 116710232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).