2-methoxy-2-methyl-1-phenylbutan-1-one

C12H16O2 — CID 10261995

IUPAC2-methoxy-2-methyl-1-phenylbutan-1-one
SMILESCCC(C)(OC)C(=O)c1ccccc1
InChIInChI=1S/C12H16O2/c1-4-12(2,14-3)11(13)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3
InChIKeyGQXWIGZWSLOWOM-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.68
Rot. Bonds4

About 2-methoxy-2-methyl-1-phenylbutan-1-one

2-methoxy-2-methyl-1-phenylbutan-1-one (PubChem CID 10261995) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-methoxy-2-methyl-1-phenylbutan-1-one.

Molecular Properties

Compound Name2-methoxy-2-methyl-1-phenylbutan-1-one
PubChem CID10261995
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name2-methoxy-2-methyl-1-phenylbutan-1-one
SMILESCCC(C)(OC)C(=O)c1ccccc1
InChIInChI=1S/C12H16O2/c1-4-12(2,14-3)11(13)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3
InChIKeyGQXWIGZWSLOWOM-UHFFFAOYSA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-2-methyl-1-phenylbutan-1-one
CID 116746857
3-(dimethylamino)-2-methoxy-2-methyl-1-phenylpropan-1-one
CID 20547322
1-(2-chlorophenyl)-2-methoxy-2-methylbutan-1-one
CID 116746687
3-methoxy-3-methyl-1-phenylpentan-2-one
CID 116746653
ethyl 2,2-dimethoxy-3-oxo-3-phenylpropanoate
CID 15048899
2-chloro-2-methoxy-1-phenylpropan-1-one
CID 89336045
2,2-dihydroxy-1-phenylbutan-1-one
CID 57064047
2-hydroxy-3-methoxy-2,3-dimethyl-1-phenylbutan-1-one
CID 19878470
2,2-dimethylbutane tribenzoate
CID 22607007
methyl 2-benzoyl-2-fluorobutanoate
CID 169171309
fluoro 2-benzoyl-2-methylbutanoate
CID 174667717
2-methoxy-1-(5-methoxy-3-pyridinyl)-2-methylbutan-1-one
CID 116746637

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-1-phenylbutan-1-one?
The IUPAC name of 2-methoxy-2-methyl-1-phenylbutan-1-one (CID 10261995) is 2-methoxy-2-methyl-1-phenylbutan-1-one.
What is the SMILES notation for 2-methoxy-2-methyl-1-phenylbutan-1-one?
The canonical SMILES for 2-methoxy-2-methyl-1-phenylbutan-1-one is CCC(C)(OC)C(=O)c1ccccc1.
What is the InChIKey of 2-methoxy-2-methyl-1-phenylbutan-1-one?
The InChIKey is GQXWIGZWSLOWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-4-12(2,14-3)11(13)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3.
What are the key properties of 2-methoxy-2-methyl-1-phenylbutan-1-one?
2-methoxy-2-methyl-1-phenylbutan-1-one has a molecular weight of 192.26 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-1-phenylbutan-1-one is sourced from PubChem (CID 10261995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).