2-ethoxy-4-(trifluoromethyl)benzaldehyde;2-hydroxy-4-(trifluoromethyl)benzaldehyde

C18H14F6O4 — CID 163641356

IUPAC2-ethoxy-4-(trifluoromethyl)benzaldehyde;2-hydroxy-4-(trifluoromethyl)benzaldehyde
SMILESCCOc1cc(C(F)(F)F)ccc1C=O.O=Cc1ccc(C(F)(F)F)cc1O
InChIInChI=1S/C10H9F3O2.C8H5F3O2/c1-2-15-9-5-8(10(11,12)13)4-3-7(9)6-14;9-8(10,11)6-2-1-5(4-12)7(13)3-6/h3-6H,2H2,1H3;1-4,13H
InChIKeyIENLJDBAQGAFCV-UHFFFAOYSA-N
MW408.29 g/mol
LogP5.14
Rot. Bonds4

About 2-ethoxy-4-(trifluoromethyl)benzaldehyde;2-hydroxy-4-(trifluoromethyl)benzaldehyde

2-ethoxy-4-(trifluoromethyl)benzaldehyde;2-hydroxy-4-(trifluoromethyl)benzaldehyde (PubChem CID 163641356) has the molecular formula C18H14F6O4 and a molecular weight of 408.29 g/mol. Its IUPAC name is 2-ethoxy-4-(trifluoromethyl)benzaldehyde;2-hydroxy-4-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name2-ethoxy-4-(trifluoromethyl)benzaldehyde;2-hydroxy-4-(trifluoromethyl)benzaldehyde
PubChem CID163641356
Molecular FormulaC18H14F6O4
Molecular Weight408.29 g/mol
Exact Mass408.08
IUPAC Name2-ethoxy-4-(trifluoromethyl)benzaldehyde;2-hydroxy-4-(trifluoromethyl)benzaldehyde
SMILESCCOc1cc(C(F)(F)F)ccc1C=O.O=Cc1ccc(C(F)(F)F)cc1O
InChIInChI=1S/C10H9F3O2.C8H5F3O2/c1-2-15-9-5-8(10(11,12)13)4-3-7(9)6-14;9-8(10,11)6-2-1-5(4-12)7(13)3-6/h3-6H,2H2,1H3;1-4,13H
InChIKeyIENLJDBAQGAFCV-UHFFFAOYSA-N
XLogP5.14
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.29
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-ethoxy-4-(trifluoromethyl)benzaldehyde;2-hydroxy-4-(trifluoromethyl)benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(trifluoromethyl)benzaldehyde;2-hydroxy-4-(trifluoromethyl)benzaldehyde?
The IUPAC name of 2-ethoxy-4-(trifluoromethyl)benzaldehyde;2-hydroxy-4-(trifluoromethyl)benzaldehyde (CID 163641356) is 2-ethoxy-4-(trifluoromethyl)benzaldehyde;2-hydroxy-4-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 2-ethoxy-4-(trifluoromethyl)benzaldehyde;2-hydroxy-4-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 2-ethoxy-4-(trifluoromethyl)benzaldehyde;2-hydroxy-4-(trifluoromethyl)benzaldehyde is CCOc1cc(C(F)(F)F)ccc1C=O.O=Cc1ccc(C(F)(F)F)cc1O.
What is the InChIKey of 2-ethoxy-4-(trifluoromethyl)benzaldehyde;2-hydroxy-4-(trifluoromethyl)benzaldehyde?
The InChIKey is IENLJDBAQGAFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O2.C8H5F3O2/c1-2-15-9-5-8(10(11,12)13)4-3-7(9)6-14;9-8(10,11)6-2-1-5(4-12)7(13)3-6/h3-6H,2H2,1H3;1-4,13H.
What are the key properties of 2-ethoxy-4-(trifluoromethyl)benzaldehyde;2-hydroxy-4-(trifluoromethyl)benzaldehyde?
2-ethoxy-4-(trifluoromethyl)benzaldehyde;2-hydroxy-4-(trifluoromethyl)benzaldehyde has a molecular weight of 408.29 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(trifluoromethyl)benzaldehyde;2-hydroxy-4-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 163641356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).