2-(4-ethylphenoxy)-4-(trifluoromethyl)benzaldehyde

C16H13F3O2 — CID 166001241

IUPAC2-(4-ethylphenoxy)-4-(trifluoromethyl)benzaldehyde
SMILESCCc1ccc(Oc2cc(C(F)(F)F)ccc2C=O)cc1
InChIInChI=1S/C16H13F3O2/c1-2-11-3-7-14(8-4-11)21-15-9-13(16(17,18)19)6-5-12(15)10-20/h3-10H,2H2,1H3
InChIKeyCUYGGUAWSQJGPC-UHFFFAOYSA-N
MW294.27 g/mol
LogP4.87
Rot. Bonds4

About 2-(4-ethylphenoxy)-4-(trifluoromethyl)benzaldehyde

2-(4-ethylphenoxy)-4-(trifluoromethyl)benzaldehyde (PubChem CID 166001241) has the molecular formula C16H13F3O2 and a molecular weight of 294.27 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-4-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-4-(trifluoromethyl)benzaldehyde
PubChem CID166001241
Molecular FormulaC16H13F3O2
Molecular Weight294.27 g/mol
Exact Mass294.09
IUPAC Name2-(4-ethylphenoxy)-4-(trifluoromethyl)benzaldehyde
SMILESCCc1ccc(Oc2cc(C(F)(F)F)ccc2C=O)cc1
InChIInChI=1S/C16H13F3O2/c1-2-11-3-7-14(8-4-11)21-15-9-13(16(17,18)19)6-5-12(15)10-20/h3-10H,2H2,1H3
InChIKeyCUYGGUAWSQJGPC-UHFFFAOYSA-N
XLogP4.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 54.87
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-(4-ethylphenoxy)benzaldehyde
CID 29041486
2-(ethoxymethoxy)-4-(trifluoromethyl)benzaldehyde
CID 86680838
4-(4-ethylphenoxy)-2-methylbenzaldehyde
CID 63534458
2-ethoxy-4-(trifluoromethyl)benzaldehyde;2-hydroxy-4-(trifluoromethyl)benzaldehyde
CID 163641356
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-4-(trifluoromethyl)benzaldehyde
CID 126636350
2-chloro-4-(4-ethylphenoxy)benzaldehyde
CID 114064170
2-(4-tert-butylphenoxy)-4-[4-(trifluoromethoxy)anilino]benzaldehyde
CID 58008239
2-methyl-4-(trifluoromethyl)benzaldehyde
CID 23340632
4-(trifluoromethyl)phthalaldehyde
CID 23496648
2-[2-formyl-5-(trifluoromethyl)phenoxy]-2,4,4-trimethylpentanoic acid
CID 162346961
3-chloro-4-(4-ethylphenoxy)benzaldehyde
CID 81151574
2-butoxy-N-methoxy-N-methyl-4-(trifluoromethyl)benzamide;2-butoxy-4-(trifluoromethyl)benzaldehyde
CID 160601755

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-4-(trifluoromethyl)benzaldehyde?
The IUPAC name of 2-(4-ethylphenoxy)-4-(trifluoromethyl)benzaldehyde (CID 166001241) is 2-(4-ethylphenoxy)-4-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 2-(4-ethylphenoxy)-4-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 2-(4-ethylphenoxy)-4-(trifluoromethyl)benzaldehyde is CCc1ccc(Oc2cc(C(F)(F)F)ccc2C=O)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-4-(trifluoromethyl)benzaldehyde?
The InChIKey is CUYGGUAWSQJGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O2/c1-2-11-3-7-14(8-4-11)21-15-9-13(16(17,18)19)6-5-12(15)10-20/h3-10H,2H2,1H3.
What are the key properties of 2-(4-ethylphenoxy)-4-(trifluoromethyl)benzaldehyde?
2-(4-ethylphenoxy)-4-(trifluoromethyl)benzaldehyde has a molecular weight of 294.27 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-4-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 166001241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).