2-(2-methoxyphenyl)-6-(trifluoromethoxy)benzaldehyde

C15H11F3O3 — CID 172993966

IUPAC2-(2-methoxyphenyl)-6-(trifluoromethoxy)benzaldehyde
SMILESCOc1ccccc1-c1cccc(OC(F)(F)F)c1C=O
InChIInChI=1S/C15H11F3O3/c1-20-13-7-3-2-5-11(13)10-6-4-8-14(12(10)9-19)21-15(16,17)18/h2-9H,1H3
InChIKeyXDCLXVOPHIWYPS-UHFFFAOYSA-N
MW296.24 g/mol
LogP4.07
Rot. Bonds4

About 2-(2-methoxyphenyl)-6-(trifluoromethoxy)benzaldehyde

2-(2-methoxyphenyl)-6-(trifluoromethoxy)benzaldehyde (PubChem CID 172993966) has the molecular formula C15H11F3O3 and a molecular weight of 296.24 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-6-(trifluoromethoxy)benzaldehyde.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-6-(trifluoromethoxy)benzaldehyde
PubChem CID172993966
Molecular FormulaC15H11F3O3
Molecular Weight296.24 g/mol
Exact Mass296.07
IUPAC Name2-(2-methoxyphenyl)-6-(trifluoromethoxy)benzaldehyde
SMILESCOc1ccccc1-c1cccc(OC(F)(F)F)c1C=O
InChIInChI=1S/C15H11F3O3/c1-20-13-7-3-2-5-11(13)10-6-4-8-14(12(10)9-19)21-15(16,17)18/h2-9H,1H3
InChIKeyXDCLXVOPHIWYPS-UHFFFAOYSA-N
XLogP4.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-methoxyphenyl)-6-(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

2-(2-chlorophenyl)-6-(trifluoromethoxy)benzaldehyde
CID 172993965
2-(4-methylphenyl)-6-(trifluoromethoxy)benzaldehyde
CID 172993981
2,6-dimethyl-4-[2-(trifluoromethoxy)phenyl]benzaldehyde
CID 172876941
4-fluoro-1-methoxy-2-[2-(trifluoromethoxy)phenyl]benzene
CID 134630084
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
3-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
CID 134626254
2-methoxy-6-(trifluoromethoxy)benzenesulfonamide
CID 125434816
2-chloro-3-(2-methoxyphenyl)benzaldehyde
CID 175756808
3-[2-(trifluoromethoxy)phenyl]thiophene-2-carbaldehyde
CID 168654704
2-methoxy-3-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
CID 134620613
2-fluoro-4-hydroxy-3-methoxy-6-(2-methoxyphenyl)benzaldehyde
CID 91195039
ethyl 2-[2-formyl-3-(trifluoromethoxy)phenyl]acetate
CID 170998207

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-6-(trifluoromethoxy)benzaldehyde?
The IUPAC name of 2-(2-methoxyphenyl)-6-(trifluoromethoxy)benzaldehyde (CID 172993966) is 2-(2-methoxyphenyl)-6-(trifluoromethoxy)benzaldehyde.
What is the SMILES notation for 2-(2-methoxyphenyl)-6-(trifluoromethoxy)benzaldehyde?
The canonical SMILES for 2-(2-methoxyphenyl)-6-(trifluoromethoxy)benzaldehyde is COc1ccccc1-c1cccc(OC(F)(F)F)c1C=O.
What is the InChIKey of 2-(2-methoxyphenyl)-6-(trifluoromethoxy)benzaldehyde?
The InChIKey is XDCLXVOPHIWYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O3/c1-20-13-7-3-2-5-11(13)10-6-4-8-14(12(10)9-19)21-15(16,17)18/h2-9H,1H3.
What are the key properties of 2-(2-methoxyphenyl)-6-(trifluoromethoxy)benzaldehyde?
2-(2-methoxyphenyl)-6-(trifluoromethoxy)benzaldehyde has a molecular weight of 296.24 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-6-(trifluoromethoxy)benzaldehyde is sourced from PubChem (CID 172993966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).