5-methoxy-2-[4-(trifluoromethyl)phenyl]benzaldehyde

C15H11F3O2 — CID 103694158

IUPAC5-methoxy-2-[4-(trifluoromethyl)phenyl]benzaldehyde
SMILESCOc1ccc(-c2ccc(C(F)(F)F)cc2)c(C=O)c1
InChIInChI=1S/C15H11F3O2/c1-20-13-6-7-14(11(8-13)9-19)10-2-4-12(5-3-10)15(16,17)18/h2-9H,1H3
InChIKeyGDHILPFBBAGDJB-UHFFFAOYSA-N
MW280.25 g/mol
LogP4.19
Rot. Bonds3

About 5-methoxy-2-[4-(trifluoromethyl)phenyl]benzaldehyde

5-methoxy-2-[4-(trifluoromethyl)phenyl]benzaldehyde (PubChem CID 103694158) has the molecular formula C15H11F3O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is 5-methoxy-2-[4-(trifluoromethyl)phenyl]benzaldehyde.

Molecular Properties

Compound Name5-methoxy-2-[4-(trifluoromethyl)phenyl]benzaldehyde
PubChem CID103694158
Molecular FormulaC15H11F3O2
Molecular Weight280.25 g/mol
Exact Mass280.07
IUPAC Name5-methoxy-2-[4-(trifluoromethyl)phenyl]benzaldehyde
SMILESCOc1ccc(-c2ccc(C(F)(F)F)cc2)c(C=O)c1
InChIInChI=1S/C15H11F3O2/c1-20-13-6-7-14(11(8-13)9-19)10-2-4-12(5-3-10)15(16,17)18/h2-9H,1H3
InChIKeyGDHILPFBBAGDJB-UHFFFAOYSA-N
XLogP4.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-2-(3-methylphenyl)benzaldehyde
CID 90346664
5-chloro-2-(4-methoxyphenyl)benzaldehyde
CID 66159684
2-(3-fluorophenyl)-5-methoxybenzaldehyde
CID 46314389
2-methoxy-3-[4-(trifluoromethyl)phenyl]benzaldehyde
CID 141271673
2-[4-[9-[4-(2-formyl-4-methoxyphenyl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]-5-methoxybenzaldehyde
CID 11169363
ethyl (E)-3-[2-[3-formyl-4-[3-(trifluoromethyl)phenyl]phenyl]-5-methoxyphenyl]prop-2-enoate
CID 130342694
2-(4-methoxyphenyl)-5-(trifluoromethyl)phenol
CID 146557266
5-methoxy-2-(2-methylpyrimidin-5-yl)benzaldehyde
CID 172651190
2,5-bis[4-(trifluoromethoxy)phenyl]benzaldehyde
CID 162538499
2-methoxy-4-[6-methoxy-1-oxo-4-[4-(trifluoromethyl)phenyl]isoquinolin-2-yl]benzaldehyde
CID 86683793
2-(4-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carbaldehyde
CID 172913849
2-(2-fluorophenyl)-5-methoxybenzaldehyde
CID 46314388

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[4-(trifluoromethyl)phenyl]benzaldehyde?
The IUPAC name of 5-methoxy-2-[4-(trifluoromethyl)phenyl]benzaldehyde (CID 103694158) is 5-methoxy-2-[4-(trifluoromethyl)phenyl]benzaldehyde.
What is the SMILES notation for 5-methoxy-2-[4-(trifluoromethyl)phenyl]benzaldehyde?
The canonical SMILES for 5-methoxy-2-[4-(trifluoromethyl)phenyl]benzaldehyde is COc1ccc(-c2ccc(C(F)(F)F)cc2)c(C=O)c1.
What is the InChIKey of 5-methoxy-2-[4-(trifluoromethyl)phenyl]benzaldehyde?
The InChIKey is GDHILPFBBAGDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O2/c1-20-13-6-7-14(11(8-13)9-19)10-2-4-12(5-3-10)15(16,17)18/h2-9H,1H3.
What are the key properties of 5-methoxy-2-[4-(trifluoromethyl)phenyl]benzaldehyde?
5-methoxy-2-[4-(trifluoromethyl)phenyl]benzaldehyde has a molecular weight of 280.25 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[4-(trifluoromethyl)phenyl]benzaldehyde is sourced from PubChem (CID 103694158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).