2-(3-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]ethanone

C16H13F3O2 — CID 61078244

IUPAC2-(3-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]ethanone
SMILESCOc1cccc(CC(=O)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C16H13F3O2/c1-21-12-6-4-5-11(9-12)10-15(20)13-7-2-3-8-14(13)16(17,18)19/h2-9H,10H2,1H3
InChIKeyUZRGCMNSHMGZFB-UHFFFAOYSA-N
MW294.27 g/mol
LogP4.14
Rot. Bonds4

About 2-(3-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]ethanone

2-(3-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]ethanone (PubChem CID 61078244) has the molecular formula C16H13F3O2 and a molecular weight of 294.27 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]ethanone
PubChem CID61078244
Molecular FormulaC16H13F3O2
Molecular Weight294.27 g/mol
Exact Mass294.09
IUPAC Name2-(3-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]ethanone
SMILESCOc1cccc(CC(=O)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C16H13F3O2/c1-21-12-6-4-5-11(9-12)10-15(20)13-7-2-3-8-14(13)16(17,18)19/h2-9H,10H2,1H3
InChIKeyUZRGCMNSHMGZFB-UHFFFAOYSA-N
XLogP4.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)ethanone
CID 79217516
1-(2-fluoro-4-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 43561129
2-(3,5-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanone
CID 63409860
1,1,1-trifluoro-3-(3-methoxyphenyl)propan-2-one
CID 24726859
1-(2-hydroxy-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 121242102
1-(2,4-difluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 43337712
1-(2-amino-3-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 107469155
2-(3-methoxyphenyl)-1-quinoxalin-5-ylethanone
CID 105088635
1-(2-bromo-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 61079528
1-(4-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 61077697
1-(5-fluoro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 43161531
1-(2-cyclobutylphenyl)-2-(3-methoxyphenyl)ethanone
CID 114601759

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-(3-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]ethanone (CID 61078244) is 2-(3-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-(3-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]ethanone is COc1cccc(CC(=O)c2ccccc2C(F)(F)F)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]ethanone?
The InChIKey is UZRGCMNSHMGZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O2/c1-21-12-6-4-5-11(9-12)10-15(20)13-7-2-3-8-14(13)16(17,18)19/h2-9H,10H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]ethanone?
2-(3-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]ethanone has a molecular weight of 294.27 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 61078244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).