1-[3-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanone

C17H15F3O2 — CID 161096895

IUPAC1-[3-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanone
SMILESCC(=O)c1cccc(COc2ccc(C(F)(F)F)cc2C)c1
InChIInChI=1S/C17H15F3O2/c1-11-8-15(17(18,19)20)6-7-16(11)22-10-13-4-3-5-14(9-13)12(2)21/h3-9H,10H2,1-2H3
InChIKeyCXIRNABBJQJLRZ-UHFFFAOYSA-N
MW308.30 g/mol
LogP4.80
Rot. Bonds4

About 1-[3-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanone

1-[3-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanone (PubChem CID 161096895) has the molecular formula C17H15F3O2 and a molecular weight of 308.30 g/mol. Its IUPAC name is 1-[3-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanone
PubChem CID161096895
Molecular FormulaC17H15F3O2
Molecular Weight308.30 g/mol
Exact Mass308.10
IUPAC Name1-[3-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanone
SMILESCC(=O)c1cccc(COc2ccc(C(F)(F)F)cc2C)c1
InChIInChI=1S/C17H15F3O2/c1-11-8-15(17(18,19)20)6-7-16(11)22-10-13-4-3-5-14(9-13)12(2)21/h3-9H,10H2,1-2H3
InChIKeyCXIRNABBJQJLRZ-UHFFFAOYSA-N
XLogP4.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-propan-2-ylbenzamide
CID 155154016
ethane;1-[(4-fluorophenyl)methoxy]-2-methyl-4-(trifluoromethyl)benzene
CID 143034150
3-methyl-4-[(3-methylphenyl)methoxy]benzoic acid
CID 82051650
3-[(2-fluoro-3-methylphenoxy)methyl]benzoic acid
CID 113435752
1-[[3-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid
CID 176930273
3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-phenylbenzamide
CID 155154021
3-methyl-4-phenylmethoxybenzoic acid
CID 53471145
(2S,3R)-2-[[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]benzoyl]amino]-3-hydroxybutanoic acid
CID 155154049
3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-cyclobutylbenzamide
CID 155153809
2-methyl-6-[[3-(trifluoromethyl)phenyl]methoxy]aniline
CID 43437992
2-fluoro-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 102132722
ethyl (E)-3-[3-[[3,5-bis(trifluoromethyl)phenoxy]methyl]phenyl]but-2-enoate
CID 10502839

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanone?
The IUPAC name of 1-[3-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanone (CID 161096895) is 1-[3-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanone?
The canonical SMILES for 1-[3-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanone is CC(=O)c1cccc(COc2ccc(C(F)(F)F)cc2C)c1.
What is the InChIKey of 1-[3-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanone?
The InChIKey is CXIRNABBJQJLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O2/c1-11-8-15(17(18,19)20)6-7-16(11)22-10-13-4-3-5-14(9-13)12(2)21/h3-9H,10H2,1-2H3.
What are the key properties of 1-[3-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanone?
1-[3-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanone has a molecular weight of 308.30 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanone is sourced from PubChem (CID 161096895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).