3-(2,3-dimethylphenyl)-5-(trifluoromethoxy)benzaldehyde

C16H13F3O2 — CID 175670387

IUPAC3-(2,3-dimethylphenyl)-5-(trifluoromethoxy)benzaldehyde
SMILESCc1cccc(-c2cc(C=O)cc(OC(F)(F)F)c2)c1C
InChIInChI=1S/C16H13F3O2/c1-10-4-3-5-15(11(10)2)13-6-12(9-20)7-14(8-13)21-16(17,18)19/h3-9H,1-2H3
InChIKeyWWLITKYQINUMDI-UHFFFAOYSA-N
MW294.27 g/mol
LogP4.68
Rot. Bonds3

About 3-(2,3-dimethylphenyl)-5-(trifluoromethoxy)benzaldehyde

3-(2,3-dimethylphenyl)-5-(trifluoromethoxy)benzaldehyde (PubChem CID 175670387) has the molecular formula C16H13F3O2 and a molecular weight of 294.27 g/mol. Its IUPAC name is 3-(2,3-dimethylphenyl)-5-(trifluoromethoxy)benzaldehyde.

Molecular Properties

Compound Name3-(2,3-dimethylphenyl)-5-(trifluoromethoxy)benzaldehyde
PubChem CID175670387
Molecular FormulaC16H13F3O2
Molecular Weight294.27 g/mol
Exact Mass294.09
IUPAC Name3-(2,3-dimethylphenyl)-5-(trifluoromethoxy)benzaldehyde
SMILESCc1cccc(-c2cc(C=O)cc(OC(F)(F)F)c2)c1C
InChIInChI=1S/C16H13F3O2/c1-10-4-3-5-15(11(10)2)13-6-12(9-20)7-14(8-13)21-16(17,18)19/h3-9H,1-2H3
InChIKeyWWLITKYQINUMDI-UHFFFAOYSA-N
XLogP4.68
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 ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3-(2,3-dimethylphenyl)-5-(trifluoromethoxy)benzaldehyde 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

1,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]benzene
CID 57085724
3-phenyl-5-(trifluoromethoxy)benzaldehyde
CID 122475037
3-(3-propan-2-ylphenyl)-5-(trifluoromethoxy)benzaldehyde
CID 175670422
4-(2,3-dimethylphenyl)benzaldehyde
CID 53426139
methane;3-(trifluoromethoxy)benzaldehyde
CID 143923091
1-methyl-2-[3-(trifluoromethoxy)phenyl]benzene
CID 18715807
1-bromo-3-(2-methylphenyl)-5-(trifluoromethoxy)benzene
CID 171367195
3-(2-methylphenyl)-5-(trifluoromethoxy)phenol
CID 53221910
2-methyl-3-[3-(trifluoromethoxy)phenyl]aniline
CID 107626546
3-methyl-5-[4-(trifluoromethoxy)phenyl]benzaldehyde
CID 122475705
3-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzaldehyde
CID 53221935
1-ethynyl-3-(2-methylphenyl)-5-(trifluoromethoxy)benzene
CID 175670443

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylphenyl)-5-(trifluoromethoxy)benzaldehyde?
The IUPAC name of 3-(2,3-dimethylphenyl)-5-(trifluoromethoxy)benzaldehyde (CID 175670387) is 3-(2,3-dimethylphenyl)-5-(trifluoromethoxy)benzaldehyde.
What is the SMILES notation for 3-(2,3-dimethylphenyl)-5-(trifluoromethoxy)benzaldehyde?
The canonical SMILES for 3-(2,3-dimethylphenyl)-5-(trifluoromethoxy)benzaldehyde is Cc1cccc(-c2cc(C=O)cc(OC(F)(F)F)c2)c1C.
What is the InChIKey of 3-(2,3-dimethylphenyl)-5-(trifluoromethoxy)benzaldehyde?
The InChIKey is WWLITKYQINUMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O2/c1-10-4-3-5-15(11(10)2)13-6-12(9-20)7-14(8-13)21-16(17,18)19/h3-9H,1-2H3.
What are the key properties of 3-(2,3-dimethylphenyl)-5-(trifluoromethoxy)benzaldehyde?
3-(2,3-dimethylphenyl)-5-(trifluoromethoxy)benzaldehyde has a molecular weight of 294.27 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylphenyl)-5-(trifluoromethoxy)benzaldehyde is sourced from PubChem (CID 175670387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).