4-[2-(methoxymethoxy)phenyl]-2-(trifluoromethoxy)benzaldehyde

C16H13F3O4 — CID 172649770

IUPAC4-[2-(methoxymethoxy)phenyl]-2-(trifluoromethoxy)benzaldehyde
SMILESCOCOc1ccccc1-c1ccc(C=O)c(OC(F)(F)F)c1
InChIInChI=1S/C16H13F3O4/c1-21-10-22-14-5-3-2-4-13(14)11-6-7-12(9-20)15(8-11)23-16(17,18)19/h2-9H,10H2,1H3
InChIKeyWGZYPSPOEXFDKC-UHFFFAOYSA-N
MW326.27 g/mol
LogP4.05
Rot. Bonds6

About 4-[2-(methoxymethoxy)phenyl]-2-(trifluoromethoxy)benzaldehyde

4-[2-(methoxymethoxy)phenyl]-2-(trifluoromethoxy)benzaldehyde (PubChem CID 172649770) has the molecular formula C16H13F3O4 and a molecular weight of 326.27 g/mol. Its IUPAC name is 4-[2-(methoxymethoxy)phenyl]-2-(trifluoromethoxy)benzaldehyde.

Molecular Properties

Compound Name4-[2-(methoxymethoxy)phenyl]-2-(trifluoromethoxy)benzaldehyde
PubChem CID172649770
Molecular FormulaC16H13F3O4
Molecular Weight326.27 g/mol
Exact Mass326.08
IUPAC Name4-[2-(methoxymethoxy)phenyl]-2-(trifluoromethoxy)benzaldehyde
SMILESCOCOc1ccccc1-c1ccc(C=O)c(OC(F)(F)F)c1
InChIInChI=1S/C16H13F3O4/c1-21-10-22-14-5-3-2-4-13(14)11-6-7-12(9-20)15(8-11)23-16(17,18)19/h2-9H,10H2,1H3
InChIKeyWGZYPSPOEXFDKC-UHFFFAOYSA-N
XLogP4.05
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-[2-(methoxymethoxy)phenyl]-2-(trifluoromethoxy)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-methoxy-4-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649769
2-fluoro-4-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649767
4-(methoxymethoxy)-2-(trifluoromethoxy)benzaldehyde
CID 164896154
2-(methoxymethoxy)-4-(trifluoromethoxy)benzaldehyde
CID 53465447
5-methoxy-2-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649732
2-chloro-3-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649741
4-(3-propan-2-ylphenyl)-2-(trifluoromethoxy)benzaldehyde
CID 175665723
2,6-dimethyl-4-[2-(trifluoromethoxy)phenyl]benzaldehyde
CID 172876941
2-methoxy-3-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
CID 134620613
2-[4-(methoxymethoxy)phenyl]benzaldehyde
CID 22125803
2-(trifluoromethoxy)terephthalaldehyde
CID 170999220
2-fluoro-6-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649734

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methoxymethoxy)phenyl]-2-(trifluoromethoxy)benzaldehyde?
The IUPAC name of 4-[2-(methoxymethoxy)phenyl]-2-(trifluoromethoxy)benzaldehyde (CID 172649770) is 4-[2-(methoxymethoxy)phenyl]-2-(trifluoromethoxy)benzaldehyde.
What is the SMILES notation for 4-[2-(methoxymethoxy)phenyl]-2-(trifluoromethoxy)benzaldehyde?
The canonical SMILES for 4-[2-(methoxymethoxy)phenyl]-2-(trifluoromethoxy)benzaldehyde is COCOc1ccccc1-c1ccc(C=O)c(OC(F)(F)F)c1.
What is the InChIKey of 4-[2-(methoxymethoxy)phenyl]-2-(trifluoromethoxy)benzaldehyde?
The InChIKey is WGZYPSPOEXFDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O4/c1-21-10-22-14-5-3-2-4-13(14)11-6-7-12(9-20)15(8-11)23-16(17,18)19/h2-9H,10H2,1H3.
What are the key properties of 4-[2-(methoxymethoxy)phenyl]-2-(trifluoromethoxy)benzaldehyde?
4-[2-(methoxymethoxy)phenyl]-2-(trifluoromethoxy)benzaldehyde has a molecular weight of 326.27 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methoxymethoxy)phenyl]-2-(trifluoromethoxy)benzaldehyde is sourced from PubChem (CID 172649770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).