1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-2,2,2-trifluoroethanone

C17H15F3O2 — CID 83952085

IUPAC1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-2,2,2-trifluoroethanone
SMILESCc1ccc(C)c(COc2cccc(C(=O)C(F)(F)F)c2)c1
InChIInChI=1S/C17H15F3O2/c1-11-6-7-12(2)14(8-11)10-22-15-5-3-4-13(9-15)16(21)17(18,19)20/h3-9H,10H2,1-2H3
InChIKeyDOHZLVWTLRKOBQ-UHFFFAOYSA-N
MW308.30 g/mol
LogP4.63
Rot. Bonds4

About 1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-2,2,2-trifluoroethanone

1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-2,2,2-trifluoroethanone (PubChem CID 83952085) has the molecular formula C17H15F3O2 and a molecular weight of 308.30 g/mol. Its IUPAC name is 1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-2,2,2-trifluoroethanone
PubChem CID83952085
Molecular FormulaC17H15F3O2
Molecular Weight308.30 g/mol
Exact Mass308.10
IUPAC Name1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-2,2,2-trifluoroethanone
SMILESCc1ccc(C)c(COc2cccc(C(=O)C(F)(F)F)c2)c1
InChIInChI=1S/C17H15F3O2/c1-11-6-7-12(2)14(8-11)10-22-15-5-3-4-13(9-15)16(21)17(18,19)20/h3-9H,10H2,1-2H3
InChIKeyDOHZLVWTLRKOBQ-UHFFFAOYSA-N
XLogP4.63
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 ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanone
CID 83951355
1-[3-[(2-chlorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone
CID 83952238
1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-2,2,2-trifluoroethanol
CID 83952092
[3-[(2,5-dimethylphenyl)methoxy]phenyl]-morpholin-4-ylmethanone
CID 13176465
N-[3-[(2,5-dimethylphenyl)methoxy]phenyl]acetamide
CID 7698442
methyl 2-[[3-[(2,5-dimethylphenyl)methoxy]phenoxy]methyl]-6-methylbenzoate
CID 22241250
1-[3-[(2-methylphenyl)methoxy]phenyl]ethanone
CID 765227
(2,5-dimethylphenyl)methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 7186406
4-[(2,5-dimethylphenyl)methoxy]-2-fluorobenzoic acid
CID 107675339
(1S)-1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 78936316
2-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 61482133
3-[3-[(2,5-dimethylphenyl)methoxy]phenyl]prop-2-yn-1-ol
CID 61481933

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-2,2,2-trifluoroethanone (CID 83952085) is 1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-2,2,2-trifluoroethanone is Cc1ccc(C)c(COc2cccc(C(=O)C(F)(F)F)c2)c1.
What is the InChIKey of 1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-2,2,2-trifluoroethanone?
The InChIKey is DOHZLVWTLRKOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O2/c1-11-6-7-12(2)14(8-11)10-22-15-5-3-4-13(9-15)16(21)17(18,19)20/h3-9H,10H2,1-2H3.
What are the key properties of 1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-2,2,2-trifluoroethanone?
1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-2,2,2-trifluoroethanone has a molecular weight of 308.30 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 83952085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).