1-[4-methoxy-3-methyl-5-(trifluoromethyl)phenyl]ethanone

C11H11F3O2 — CID 170996803

IUPAC1-[4-methoxy-3-methyl-5-(trifluoromethyl)phenyl]ethanone
SMILESCOc1c(C)cc(C(C)=O)cc1C(F)(F)F
InChIInChI=1S/C11H11F3O2/c1-6-4-8(7(2)15)5-9(10(6)16-3)11(12,13)14/h4-5H,1-3H3
InChIKeyZZJLYKSZTATRCY-UHFFFAOYSA-N
MW232.20 g/mol
LogP3.23
Rot. Bonds2

About 1-[4-methoxy-3-methyl-5-(trifluoromethyl)phenyl]ethanone

1-[4-methoxy-3-methyl-5-(trifluoromethyl)phenyl]ethanone (PubChem CID 170996803) has the molecular formula C11H11F3O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is 1-[4-methoxy-3-methyl-5-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-methoxy-3-methyl-5-(trifluoromethyl)phenyl]ethanone
PubChem CID170996803
Molecular FormulaC11H11F3O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Name1-[4-methoxy-3-methyl-5-(trifluoromethyl)phenyl]ethanone
SMILESCOc1c(C)cc(C(C)=O)cc1C(F)(F)F
InChIInChI=1S/C11H11F3O2/c1-6-4-8(7(2)15)5-9(10(6)16-3)11(12,13)14/h4-5H,1-3H3
InChIKeyZZJLYKSZTATRCY-UHFFFAOYSA-N
XLogP3.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-amino-3-methyl-5-(trifluoromethyl)phenyl]ethanone
CID 121399584
1-(3-acetyl-4-methoxy-5-methylphenyl)ethanone
CID 158699125
1-[3-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]ethanone
CID 117353223
1-[3-methyl-4-nitro-5-(trifluoromethyl)phenyl]ethanone
CID 171026360
1-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]ethanone
CID 84706488
3-chloro-4-methoxy-5-(trifluoromethyl)benzoic acid
CID 67041821
1-(3,5-difluoro-4-methoxyphenyl)ethanone
CID 2736983
1-[4-(difluoromethoxy)-3,5-dimethylphenyl]ethanone
CID 131525563
ethyl (E)-3-[4-methoxy-3-methyl-5-(trifluoromethyl)phenyl]prop-2-enoate
CID 90442045
1-[3,4-dichloro-5-(trifluoromethyl)phenyl]ethanone
CID 70700251
2-amino-1-(4-methoxy-3,5-dimethylphenyl)-2-methylpropan-1-one
CID 96607143
4,4,4-trifluoro-1-(4-methoxy-3,5-dimethylphenyl)butan-1-one
CID 83057195

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-methyl-5-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[4-methoxy-3-methyl-5-(trifluoromethyl)phenyl]ethanone (CID 170996803) is 1-[4-methoxy-3-methyl-5-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-methoxy-3-methyl-5-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[4-methoxy-3-methyl-5-(trifluoromethyl)phenyl]ethanone is COc1c(C)cc(C(C)=O)cc1C(F)(F)F.
What is the InChIKey of 1-[4-methoxy-3-methyl-5-(trifluoromethyl)phenyl]ethanone?
The InChIKey is ZZJLYKSZTATRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O2/c1-6-4-8(7(2)15)5-9(10(6)16-3)11(12,13)14/h4-5H,1-3H3.
What are the key properties of 1-[4-methoxy-3-methyl-5-(trifluoromethyl)phenyl]ethanone?
1-[4-methoxy-3-methyl-5-(trifluoromethyl)phenyl]ethanone has a molecular weight of 232.20 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-methyl-5-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 170996803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).