2-phenylmethoxy-6-[4-(trifluoromethyl)phenyl]benzaldehyde

C21H15F3O2 — CID 172993950

IUPAC2-phenylmethoxy-6-[4-(trifluoromethyl)phenyl]benzaldehyde
SMILESO=Cc1c(OCc2ccccc2)cccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H15F3O2/c22-21(23,24)17-11-9-16(10-12-17)18-7-4-8-20(19(18)13-25)26-14-15-5-2-1-3-6-15/h1-13H,14H2
InChIKeyOSACOGXPPMIDRQ-UHFFFAOYSA-N
MW356.34 g/mol
LogP5.76
Rot. Bonds5

About 2-phenylmethoxy-6-[4-(trifluoromethyl)phenyl]benzaldehyde

2-phenylmethoxy-6-[4-(trifluoromethyl)phenyl]benzaldehyde (PubChem CID 172993950) has the molecular formula C21H15F3O2 and a molecular weight of 356.34 g/mol. Its IUPAC name is 2-phenylmethoxy-6-[4-(trifluoromethyl)phenyl]benzaldehyde.

Molecular Properties

Compound Name2-phenylmethoxy-6-[4-(trifluoromethyl)phenyl]benzaldehyde
PubChem CID172993950
Molecular FormulaC21H15F3O2
Molecular Weight356.34 g/mol
Exact Mass356.10
IUPAC Name2-phenylmethoxy-6-[4-(trifluoromethyl)phenyl]benzaldehyde
SMILESO=Cc1c(OCc2ccccc2)cccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H15F3O2/c22-21(23,24)17-11-9-16(10-12-17)18-7-4-8-20(19(18)13-25)26-14-15-5-2-1-3-6-15/h1-13H,14H2
InChIKeyOSACOGXPPMIDRQ-UHFFFAOYSA-N
XLogP5.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.34
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-phenylmethoxy-6-[4-(trifluoromethyl)phenyl]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-(4-methoxyphenyl)-6-phenylmethoxybenzaldehyde
CID 172993953
2-phenylmethoxy-6-(4-propan-2-ylphenyl)benzaldehyde
CID 172993957
2-(3,5-dichlorophenyl)-6-phenylmethoxybenzaldehyde
CID 172993959
tert-butyl 4-(2-formyl-3-phenylmethoxyphenyl)benzoate
CID 178183494
2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 60681232
2-(1-cyclobutylpyrazol-4-yl)-6-phenylmethoxybenzaldehyde
CID 172993923
1-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 174057400
2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]benzoic acid
CID 68869462
2-fluoro-3-phenylmethoxy-5-(trifluoromethyl)benzaldehyde
CID 146034992
1-(4-methoxy-2-phenylmethoxyphenyl)-2-nitro-3-[4-(trifluoromethyl)phenyl]benzene
CID 24750429
2-[1-(cyclobutylmethyl)pyrazol-4-yl]-6-phenylmethoxybenzaldehyde
CID 172993925
2-(1-hexylpyrazol-4-yl)-6-phenylmethoxybenzaldehyde
CID 172993928

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-6-[4-(trifluoromethyl)phenyl]benzaldehyde?
The IUPAC name of 2-phenylmethoxy-6-[4-(trifluoromethyl)phenyl]benzaldehyde (CID 172993950) is 2-phenylmethoxy-6-[4-(trifluoromethyl)phenyl]benzaldehyde.
What is the SMILES notation for 2-phenylmethoxy-6-[4-(trifluoromethyl)phenyl]benzaldehyde?
The canonical SMILES for 2-phenylmethoxy-6-[4-(trifluoromethyl)phenyl]benzaldehyde is O=Cc1c(OCc2ccccc2)cccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-phenylmethoxy-6-[4-(trifluoromethyl)phenyl]benzaldehyde?
The InChIKey is OSACOGXPPMIDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3O2/c22-21(23,24)17-11-9-16(10-12-17)18-7-4-8-20(19(18)13-25)26-14-15-5-2-1-3-6-15/h1-13H,14H2.
What are the key properties of 2-phenylmethoxy-6-[4-(trifluoromethyl)phenyl]benzaldehyde?
2-phenylmethoxy-6-[4-(trifluoromethyl)phenyl]benzaldehyde has a molecular weight of 356.34 g/mol, XLogP of 5.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-6-[4-(trifluoromethyl)phenyl]benzaldehyde is sourced from PubChem (CID 172993950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).