2-(4-methylphenyl)-6-(trifluoromethoxy)benzaldehyde

C15H11F3O2 — CID 172993981

IUPAC2-(4-methylphenyl)-6-(trifluoromethoxy)benzaldehyde
SMILESCc1ccc(-c2cccc(OC(F)(F)F)c2C=O)cc1
InChIInChI=1S/C15H11F3O2/c1-10-5-7-11(8-6-10)12-3-2-4-14(13(12)9-19)20-15(16,17)18/h2-9H,1H3
InChIKeyMBVQULQZUSWHRC-UHFFFAOYSA-N
MW280.25 g/mol
LogP4.37
Rot. Bonds3

About 2-(4-methylphenyl)-6-(trifluoromethoxy)benzaldehyde

2-(4-methylphenyl)-6-(trifluoromethoxy)benzaldehyde (PubChem CID 172993981) has the molecular formula C15H11F3O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is 2-(4-methylphenyl)-6-(trifluoromethoxy)benzaldehyde.

Molecular Properties

Compound Name2-(4-methylphenyl)-6-(trifluoromethoxy)benzaldehyde
PubChem CID172993981
Molecular FormulaC15H11F3O2
Molecular Weight280.25 g/mol
Exact Mass280.07
IUPAC Name2-(4-methylphenyl)-6-(trifluoromethoxy)benzaldehyde
SMILESCc1ccc(-c2cccc(OC(F)(F)F)c2C=O)cc1
InChIInChI=1S/C15H11F3O2/c1-10-5-7-11(8-6-10)12-3-2-4-14(13(12)9-19)20-15(16,17)18/h2-9H,1H3
InChIKeyMBVQULQZUSWHRC-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
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

2,6-dimethyl-4-[2-(trifluoromethoxy)phenyl]benzaldehyde
CID 172876941
2-(2-methoxyphenyl)-6-(trifluoromethoxy)benzaldehyde
CID 172993966
2-(2-chlorophenyl)-6-(trifluoromethoxy)benzaldehyde
CID 172993965
2-(4-methylphenyl)-1,3-bis(trifluoromethoxy)benzene
CID 87191314
1-bromo-4-[2-(trifluoromethoxy)phenyl]benzene
CID 123878641
ethyl 2-[2-formyl-3-(trifluoromethoxy)phenyl]acetate
CID 170998207
1-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzene
CID 90959680
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
1-methyl-3-[2-(trifluoromethoxy)phenyl]benzene
CID 69482191
4-[2-(trifluoromethoxy)phenyl]aniline
CID 16768545
3-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
CID 134626254
2-(4-fluorophenyl)-6-propan-2-ylbenzaldehyde
CID 19004465

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-6-(trifluoromethoxy)benzaldehyde?
The IUPAC name of 2-(4-methylphenyl)-6-(trifluoromethoxy)benzaldehyde (CID 172993981) is 2-(4-methylphenyl)-6-(trifluoromethoxy)benzaldehyde.
What is the SMILES notation for 2-(4-methylphenyl)-6-(trifluoromethoxy)benzaldehyde?
The canonical SMILES for 2-(4-methylphenyl)-6-(trifluoromethoxy)benzaldehyde is Cc1ccc(-c2cccc(OC(F)(F)F)c2C=O)cc1.
What is the InChIKey of 2-(4-methylphenyl)-6-(trifluoromethoxy)benzaldehyde?
The InChIKey is MBVQULQZUSWHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O2/c1-10-5-7-11(8-6-10)12-3-2-4-14(13(12)9-19)20-15(16,17)18/h2-9H,1H3.
What are the key properties of 2-(4-methylphenyl)-6-(trifluoromethoxy)benzaldehyde?
2-(4-methylphenyl)-6-(trifluoromethoxy)benzaldehyde has a molecular weight of 280.25 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-6-(trifluoromethoxy)benzaldehyde is sourced from PubChem (CID 172993981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).