1-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpropan-1-one

C12H13F3O2 — CID 146008941

IUPAC1-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpropan-1-one
SMILESCOc1ccc(C(=O)C(C)C)cc1C(F)(F)F
InChIInChI=1S/C12H13F3O2/c1-7(2)11(16)8-4-5-10(17-3)9(6-8)12(13,14)15/h4-7H,1-3H3
InChIKeyGWQHQPXMPDLYNI-UHFFFAOYSA-N
MW246.23 g/mol
LogP3.55
Rot. Bonds3

About 1-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpropan-1-one

1-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpropan-1-one (PubChem CID 146008941) has the molecular formula C12H13F3O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is 1-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpropan-1-one
PubChem CID146008941
Molecular FormulaC12H13F3O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Name1-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpropan-1-one
SMILESCOc1ccc(C(=O)C(C)C)cc1C(F)(F)F
InChIInChI=1S/C12H13F3O2/c1-7(2)11(16)8-4-5-10(17-3)9(6-8)12(13,14)15/h4-7H,1-3H3
InChIKeyGWQHQPXMPDLYNI-UHFFFAOYSA-N
XLogP3.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-methoxy-3-(trifluoromethyl)benzoate
CID 19360538
1-(3,4-dimethoxyphenyl)-2-methylpropan-1-one
CID 26422
1-[4-methoxy-3-(trifluoromethyl)phenyl]-3,5,5-trimethylhexan-1-one
CID 146008988
3-chloro-1-[4-methoxy-3-(trifluoromethyl)phenyl]propan-1-one
CID 134626230
1-[4-methoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylbutan-1-one
CID 146008972
4-methoxy-3-(trifluoromethyl)benzenecarbothioyl chloride
CID 87540126
1-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylsulfanylpropan-1-one
CID 146008962
1-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]ethanone
CID 118619612
1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene
CID 22952870
1-(3-tert-butyl-4-methoxyphenyl)-3-methylbutane-1,2-dione
CID 94693468
2-[2-methoxy-4-(2-methylpropanoyl)phenoxy]acetic acid
CID 154135736
methyl 4-(2-methylpropoxy)-3-(trifluoromethyl)benzoate
CID 169061075

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpropan-1-one (CID 146008941) is 1-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpropan-1-one is COc1ccc(C(=O)C(C)C)cc1C(F)(F)F.
What is the InChIKey of 1-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpropan-1-one?
The InChIKey is GWQHQPXMPDLYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O2/c1-7(2)11(16)8-4-5-10(17-3)9(6-8)12(13,14)15/h4-7H,1-3H3.
What are the key properties of 1-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpropan-1-one?
1-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpropan-1-one has a molecular weight of 246.23 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpropan-1-one is sourced from PubChem (CID 146008941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).