2-ethoxy-1-(3-ethylphenyl)-2-methylpropan-1-one

C14H20O2 — CID 116710309

IUPAC2-ethoxy-1-(3-ethylphenyl)-2-methylpropan-1-one
SMILESCCOC(C)(C)C(=O)c1cccc(CC)c1
InChIInChI=1S/C14H20O2/c1-5-11-8-7-9-12(10-11)13(15)14(3,4)16-6-2/h7-10H,5-6H2,1-4H3
InChIKeyWJDTUTFDIHBMHC-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.25
Rot. Bonds5

About 2-ethoxy-1-(3-ethylphenyl)-2-methylpropan-1-one

2-ethoxy-1-(3-ethylphenyl)-2-methylpropan-1-one (PubChem CID 116710309) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-ethoxy-1-(3-ethylphenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-ethoxy-1-(3-ethylphenyl)-2-methylpropan-1-one
PubChem CID116710309
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-ethoxy-1-(3-ethylphenyl)-2-methylpropan-1-one
SMILESCCOC(C)(C)C(=O)c1cccc(CC)c1
InChIInChI=1S/C14H20O2/c1-5-11-8-7-9-12(10-11)13(15)14(3,4)16-6-2/h7-10H,5-6H2,1-4H3
InChIKeyWJDTUTFDIHBMHC-UHFFFAOYSA-N
XLogP3.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethylbenzoic acid;propane
CID 177324794
1-(3-ethylphenyl)-2,2,3,3,4,4,4-heptafluorobutan-1-one
CID 146008234
chloro 3-ethylbenzoate
CID 142246460
sulfanyl 3-ethylbenzoate
CID 89208053
ethane;1-(3-ethylphenyl)propan-1-one
CID 142830478
3-ethyl-N-methylbenzamide
CID 59115297
3-ethylbenzoic acid;isocyanic acid;hydrochloride
CID 173457186
2-dimethylphosphoryloxy-1-(3-ethylphenyl)ethanone
CID 174508962
3-(3-ethylphenyl)-3-oxopropanoic acid
CID 55267512
2-ethoxy-2-methyl-1-(2,4,5-trimethylphenyl)propan-1-one
CID 116710232
3-(tert-butylamino)-1-(3-ethylphenyl)propan-1-one
CID 116557940
1-(3-chlorophenyl)-2-ethoxy-2-methylbutan-1-one
CID 116747032

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(3-ethylphenyl)-2-methylpropan-1-one?
The IUPAC name of 2-ethoxy-1-(3-ethylphenyl)-2-methylpropan-1-one (CID 116710309) is 2-ethoxy-1-(3-ethylphenyl)-2-methylpropan-1-one.
What is the SMILES notation for 2-ethoxy-1-(3-ethylphenyl)-2-methylpropan-1-one?
The canonical SMILES for 2-ethoxy-1-(3-ethylphenyl)-2-methylpropan-1-one is CCOC(C)(C)C(=O)c1cccc(CC)c1.
What is the InChIKey of 2-ethoxy-1-(3-ethylphenyl)-2-methylpropan-1-one?
The InChIKey is WJDTUTFDIHBMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-5-11-8-7-9-12(10-11)13(15)14(3,4)16-6-2/h7-10H,5-6H2,1-4H3.
What are the key properties of 2-ethoxy-1-(3-ethylphenyl)-2-methylpropan-1-one?
2-ethoxy-1-(3-ethylphenyl)-2-methylpropan-1-one has a molecular weight of 220.31 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(3-ethylphenyl)-2-methylpropan-1-one is sourced from PubChem (CID 116710309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).