1-[4-(1-methoxy-2,2-dimethylpropyl)phenyl]ethanone

C14H20O2 — CID 102543531

IUPAC1-[4-(1-methoxy-2,2-dimethylpropyl)phenyl]ethanone
SMILESCOC(c1ccc(C(C)=O)cc1)C(C)(C)C
InChIInChI=1S/C14H20O2/c1-10(15)11-6-8-12(9-7-11)13(16-5)14(2,3)4/h6-9,13H,1-5H3
InChIKeySAIDNBOLRXMKFQ-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.62
Rot. Bonds3

About 1-[4-(1-methoxy-2,2-dimethylpropyl)phenyl]ethanone

1-[4-(1-methoxy-2,2-dimethylpropyl)phenyl]ethanone (PubChem CID 102543531) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-[4-(1-methoxy-2,2-dimethylpropyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(1-methoxy-2,2-dimethylpropyl)phenyl]ethanone
PubChem CID102543531
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-[4-(1-methoxy-2,2-dimethylpropyl)phenyl]ethanone
SMILESCOC(c1ccc(C(C)=O)cc1)C(C)(C)C
InChIInChI=1S/C14H20O2/c1-10(15)11-6-8-12(9-7-11)13(16-5)14(2,3)4/h6-9,13H,1-5H3
InChIKeySAIDNBOLRXMKFQ-UHFFFAOYSA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1-methoxyethyl)phenyl]ethanone
CID 12735290
1-[4-(dihydroxymethyl)phenyl]ethanone
CID 66714715
1-[4-[(1S)-1-methoxybutyl]phenyl]ethanone
CID 124500308
ethane;1-(4-propan-2-ylphenyl)ethanone
CID 143075063
1-(4-acetylphenyl)ethanone;methane
CID 159515104
1-[4-(1-hydroxy-2-methoxyethyl)phenyl]ethanone
CID 173353549
4-methoxy-3,3-dimethyl-4-phenylbutan-2-one
CID 10420523
1-[4-tris(4-acetylphenyl)silylphenyl]ethanone
CID 149009059
1-[4-(1-aminoethyl)phenyl]ethanone
CID 45086260
3-methoxy-2,2-dimethyl-1,3-diphenylpropan-1-one
CID 100923277
[(1R)-1-(4-acetylphenyl)ethyl] acetate
CID 71348999
4-acetyl(11C)benzoic acid
CID 11205952

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methoxy-2,2-dimethylpropyl)phenyl]ethanone?
The IUPAC name of 1-[4-(1-methoxy-2,2-dimethylpropyl)phenyl]ethanone (CID 102543531) is 1-[4-(1-methoxy-2,2-dimethylpropyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(1-methoxy-2,2-dimethylpropyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(1-methoxy-2,2-dimethylpropyl)phenyl]ethanone is COC(c1ccc(C(C)=O)cc1)C(C)(C)C.
What is the InChIKey of 1-[4-(1-methoxy-2,2-dimethylpropyl)phenyl]ethanone?
The InChIKey is SAIDNBOLRXMKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-10(15)11-6-8-12(9-7-11)13(16-5)14(2,3)4/h6-9,13H,1-5H3.
What are the key properties of 1-[4-(1-methoxy-2,2-dimethylpropyl)phenyl]ethanone?
1-[4-(1-methoxy-2,2-dimethylpropyl)phenyl]ethanone has a molecular weight of 220.31 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methoxy-2,2-dimethylpropyl)phenyl]ethanone is sourced from PubChem (CID 102543531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).