2-ethoxy-2-methyl-1-phenylbutan-1-one

C13H18O2 — CID 116746857

IUPAC2-ethoxy-2-methyl-1-phenylbutan-1-one
SMILESCCOC(C)(CC)C(=O)c1ccccc1
InChIInChI=1S/C13H18O2/c1-4-13(3,15-5-2)12(14)11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3
InChIKeyNQPRBGYASLVZNT-UHFFFAOYSA-N
MW206.29 g/mol
LogP3.07
Rot. Bonds5

About 2-ethoxy-2-methyl-1-phenylbutan-1-one

2-ethoxy-2-methyl-1-phenylbutan-1-one (PubChem CID 116746857) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-1-phenylbutan-1-one.

Molecular Properties

Compound Name2-ethoxy-2-methyl-1-phenylbutan-1-one
PubChem CID116746857
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name2-ethoxy-2-methyl-1-phenylbutan-1-one
SMILESCCOC(C)(CC)C(=O)c1ccccc1
InChIInChI=1S/C13H18O2/c1-4-13(3,15-5-2)12(14)11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3
InChIKeyNQPRBGYASLVZNT-UHFFFAOYSA-N
XLogP3.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-2-methyl-1-phenylbutan-1-one
CID 10261995
1-(3-chlorophenyl)-2-ethoxy-2-methylbutan-1-one
CID 116747032
2-ethoxy-2-methyl-1-(4-propoxyphenyl)butan-1-one
CID 116747099
3-ethoxy-3-methyl-1-phenylpentan-2-one
CID 116746963
2-ethoxy-1-(2-ethoxyphenyl)-2-methylbutan-1-one
CID 116746823
2,2-dihydroxy-1-phenylbutan-1-one
CID 57064047
ethyl (2S)-2-bromo-2-methyl-3-oxo-3-phenylpropanoate
CID 101364316
ethyl (2S)-2-hydroxy-2-methyl-3-oxo-3-phenylpropanoate
CID 131869499
2,2-dimethylbutane tribenzoate
CID 22607007
2-ethoxy-1-(5-methoxy-3-pyridinyl)-2-methylbutan-1-one
CID 116746948
ethyl 2,2-dimethoxy-3-oxo-3-phenylpropanoate
CID 15048899
3-(dimethylamino)-2-methoxy-2-methyl-1-phenylpropan-1-one
CID 20547322

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methyl-1-phenylbutan-1-one?
The IUPAC name of 2-ethoxy-2-methyl-1-phenylbutan-1-one (CID 116746857) is 2-ethoxy-2-methyl-1-phenylbutan-1-one.
What is the SMILES notation for 2-ethoxy-2-methyl-1-phenylbutan-1-one?
The canonical SMILES for 2-ethoxy-2-methyl-1-phenylbutan-1-one is CCOC(C)(CC)C(=O)c1ccccc1.
What is the InChIKey of 2-ethoxy-2-methyl-1-phenylbutan-1-one?
The InChIKey is NQPRBGYASLVZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-4-13(3,15-5-2)12(14)11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3.
What are the key properties of 2-ethoxy-2-methyl-1-phenylbutan-1-one?
2-ethoxy-2-methyl-1-phenylbutan-1-one has a molecular weight of 206.29 g/mol, XLogP of 3.07, 5 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-phenylbutan-1-one is sourced from PubChem (CID 116746857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).