(3,4-dimethylphenyl)-[4-(trifluoromethoxy)phenyl]methanone

C16H13F3O2 — CID 116628415

IUPAC(3,4-dimethylphenyl)-[4-(trifluoromethoxy)phenyl]methanone
SMILESCc1ccc(C(=O)c2ccc(OC(F)(F)F)cc2)cc1C
InChIInChI=1S/C16H13F3O2/c1-10-3-4-13(9-11(10)2)15(20)12-5-7-14(8-6-12)21-16(17,18)19/h3-9H,1-2H3
InChIKeyZQLBQEWTGMLLDE-UHFFFAOYSA-N
MW294.27 g/mol
LogP4.43
Rot. Bonds3

About (3,4-dimethylphenyl)-[4-(trifluoromethoxy)phenyl]methanone

(3,4-dimethylphenyl)-[4-(trifluoromethoxy)phenyl]methanone (PubChem CID 116628415) has the molecular formula C16H13F3O2 and a molecular weight of 294.27 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-[4-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-[4-(trifluoromethoxy)phenyl]methanone
PubChem CID116628415
Molecular FormulaC16H13F3O2
Molecular Weight294.27 g/mol
Exact Mass294.09
IUPAC Name(3,4-dimethylphenyl)-[4-(trifluoromethoxy)phenyl]methanone
SMILESCc1ccc(C(=O)c2ccc(OC(F)(F)F)cc2)cc1C
InChIInChI=1S/C16H13F3O2/c1-10-3-4-13(9-11(10)2)15(20)12-5-7-14(8-6-12)21-16(17,18)19/h3-9H,1-2H3
InChIKeyZQLBQEWTGMLLDE-UHFFFAOYSA-N
XLogP4.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene
CID 159619159
(4-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 3021169
(5-methyl-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 115791642
(E)-1-(3,4-dimethylphenyl)-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one
CID 51045927
(4-amino-3-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116554006
pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
CID 68682751
(3,4-dimethylphenyl)-(4-methylphenyl)methanone;1,2,4,5-tetramethylbenzene
CID 159278284
bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene
CID 157348839
1-[4-methyl-3-[4-(trifluoromethoxy)phenyl]phenyl]ethanone
CID 172649659
(3,4-dimethylphenyl) 4-(trifluoromethyl)benzoate
CID 91726333
2-(3,4-dimethylphenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 133166592
4-(trifluoromethoxy)benzoic acid;hydrochloride
CID 70271899

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-[4-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of (3,4-dimethylphenyl)-[4-(trifluoromethoxy)phenyl]methanone (CID 116628415) is (3,4-dimethylphenyl)-[4-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-[4-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for (3,4-dimethylphenyl)-[4-(trifluoromethoxy)phenyl]methanone is Cc1ccc(C(=O)c2ccc(OC(F)(F)F)cc2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-[4-(trifluoromethoxy)phenyl]methanone?
The InChIKey is ZQLBQEWTGMLLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O2/c1-10-3-4-13(9-11(10)2)15(20)12-5-7-14(8-6-12)21-16(17,18)19/h3-9H,1-2H3.
What are the key properties of (3,4-dimethylphenyl)-[4-(trifluoromethoxy)phenyl]methanone?
(3,4-dimethylphenyl)-[4-(trifluoromethoxy)phenyl]methanone has a molecular weight of 294.27 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-[4-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 116628415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).