2-(3-methylphenyl)-1-[4-(trifluoromethoxy)phenyl]ethanone

C16H13F3O2 — CID 115736451

IUPAC2-(3-methylphenyl)-1-[4-(trifluoromethoxy)phenyl]ethanone
SMILESCc1cccc(CC(=O)c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C16H13F3O2/c1-11-3-2-4-12(9-11)10-15(20)13-5-7-14(8-6-13)21-16(17,18)19/h2-9H,10H2,1H3
InChIKeyFBFNEHNUXDJXQJ-UHFFFAOYSA-N
MW294.27 g/mol
LogP4.32
Rot. Bonds4

About 2-(3-methylphenyl)-1-[4-(trifluoromethoxy)phenyl]ethanone

2-(3-methylphenyl)-1-[4-(trifluoromethoxy)phenyl]ethanone (PubChem CID 115736451) has the molecular formula C16H13F3O2 and a molecular weight of 294.27 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-[4-(trifluoromethoxy)phenyl]ethanone.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-[4-(trifluoromethoxy)phenyl]ethanone
PubChem CID115736451
Molecular FormulaC16H13F3O2
Molecular Weight294.27 g/mol
Exact Mass294.09
IUPAC Name2-(3-methylphenyl)-1-[4-(trifluoromethoxy)phenyl]ethanone
SMILESCc1cccc(CC(=O)c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C16H13F3O2/c1-11-3-2-4-12(9-11)10-15(20)13-5-7-14(8-6-13)21-16(17,18)19/h2-9H,10H2,1H3
InChIKeyFBFNEHNUXDJXQJ-UHFFFAOYSA-N
XLogP4.32
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 ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-methylphenyl)-1-[4-(trifluoromethoxy)phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-ethoxyphenyl)-2-(3-methylphenyl)ethanone
CID 62389764
2-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 60798946
1-(3,4-difluorophenyl)-2-(3-methylphenyl)ethanone
CID 60797589
3-fluoro-3-methyl-1-(3-methylphenyl)butan-2-one
CID 130562184
1,6-bis[4-(trifluoromethoxy)phenyl]hexane-1,6-dione
CID 10502949
1-(3-fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanone
CID 62389398
1-(4-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 63841534
3-(3-methylphenyl)-1-(4-methylphenyl)propan-1-one
CID 24725664
2-(3-methylphenyl)-1-(5-methylthiophen-3-yl)ethanone
CID 65099524
1-[4-(trifluoromethoxy)phenyl]nonan-1-one
CID 114966864
N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 68701338
CID 175394563
CID 175394563

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-[4-(trifluoromethoxy)phenyl]ethanone?
The IUPAC name of 2-(3-methylphenyl)-1-[4-(trifluoromethoxy)phenyl]ethanone (CID 115736451) is 2-(3-methylphenyl)-1-[4-(trifluoromethoxy)phenyl]ethanone.
What is the SMILES notation for 2-(3-methylphenyl)-1-[4-(trifluoromethoxy)phenyl]ethanone?
The canonical SMILES for 2-(3-methylphenyl)-1-[4-(trifluoromethoxy)phenyl]ethanone is Cc1cccc(CC(=O)c2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of 2-(3-methylphenyl)-1-[4-(trifluoromethoxy)phenyl]ethanone?
The InChIKey is FBFNEHNUXDJXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O2/c1-11-3-2-4-12(9-11)10-15(20)13-5-7-14(8-6-13)21-16(17,18)19/h2-9H,10H2,1H3.
What are the key properties of 2-(3-methylphenyl)-1-[4-(trifluoromethoxy)phenyl]ethanone?
2-(3-methylphenyl)-1-[4-(trifluoromethoxy)phenyl]ethanone has a molecular weight of 294.27 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1-[4-(trifluoromethoxy)phenyl]ethanone is sourced from PubChem (CID 115736451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).