4-methoxy-3-[[3-(trifluoromethyl)phenoxy]methyl]benzaldehyde

C16H13F3O3 — CID 842707

IUPAC4-methoxy-3-[[3-(trifluoromethyl)phenoxy]methyl]benzaldehyde
SMILESCOc1ccc(C=O)cc1COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H13F3O3/c1-21-15-6-5-11(9-20)7-12(15)10-22-14-4-2-3-13(8-14)16(17,18)19/h2-9H,10H2,1H3
InChIKeyWKJZHVKGLHYSKI-UHFFFAOYSA-N
MW310.27 g/mol
LogP4.11
Rot. Bonds5

About 4-methoxy-3-[[3-(trifluoromethyl)phenoxy]methyl]benzaldehyde

4-methoxy-3-[[3-(trifluoromethyl)phenoxy]methyl]benzaldehyde (PubChem CID 842707) has the molecular formula C16H13F3O3 and a molecular weight of 310.27 g/mol. Its IUPAC name is 4-methoxy-3-[[3-(trifluoromethyl)phenoxy]methyl]benzaldehyde.

Molecular Properties

Compound Name4-methoxy-3-[[3-(trifluoromethyl)phenoxy]methyl]benzaldehyde
PubChem CID842707
Molecular FormulaC16H13F3O3
Molecular Weight310.27 g/mol
Exact Mass310.08
IUPAC Name4-methoxy-3-[[3-(trifluoromethyl)phenoxy]methyl]benzaldehyde
SMILESCOc1ccc(C=O)cc1COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H13F3O3/c1-21-15-6-5-11(9-20)7-12(15)10-22-14-4-2-3-13(8-14)16(17,18)19/h2-9H,10H2,1H3
InChIKeyWKJZHVKGLHYSKI-UHFFFAOYSA-N
XLogP4.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-fluorophenoxy)methyl]-4-methoxybenzaldehyde
CID 3503454
3-[(4-tert-butylphenoxy)methyl]-4-methoxybenzaldehyde
CID 673672
(E)-3-[4-methoxy-3-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]-1-(3-methylphenyl)prop-2-en-1-one
CID 19570963
4-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-3-methoxybenzaldehyde
CID 143085806
(E)-1-(1,5-dimethylpyrazol-4-yl)-3-[4-methoxy-3-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]prop-2-en-1-one
CID 19563164
3-[(2-fluorophenoxy)methyl]-4-methoxybenzaldehyde
CID 818604
(E)-1-(1-ethylpyrazol-4-yl)-3-[4-methoxy-3-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]prop-2-en-1-one
CID 19543466
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-4-methoxybenzaldehyde
CID 102722538
3-(3-hydroxy-4-methoxyphenyl)-N-[2-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]prop-2-enamide
CID 67340064
5-ethyl-4-[[3-(trifluoromethyl)phenoxy]methyl]thiophene-2-carbaldehyde
CID 19621706
3-[3-(trifluoromethyl)phenoxy]benzaldehyde
CID 522711
3-[(2-bromo-4,5-dimethoxyphenyl)methoxy]benzaldehyde
CID 9368529

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[[3-(trifluoromethyl)phenoxy]methyl]benzaldehyde?
The IUPAC name of 4-methoxy-3-[[3-(trifluoromethyl)phenoxy]methyl]benzaldehyde (CID 842707) is 4-methoxy-3-[[3-(trifluoromethyl)phenoxy]methyl]benzaldehyde.
What is the SMILES notation for 4-methoxy-3-[[3-(trifluoromethyl)phenoxy]methyl]benzaldehyde?
The canonical SMILES for 4-methoxy-3-[[3-(trifluoromethyl)phenoxy]methyl]benzaldehyde is COc1ccc(C=O)cc1COc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-methoxy-3-[[3-(trifluoromethyl)phenoxy]methyl]benzaldehyde?
The InChIKey is WKJZHVKGLHYSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O3/c1-21-15-6-5-11(9-20)7-12(15)10-22-14-4-2-3-13(8-14)16(17,18)19/h2-9H,10H2,1H3.
What are the key properties of 4-methoxy-3-[[3-(trifluoromethyl)phenoxy]methyl]benzaldehyde?
4-methoxy-3-[[3-(trifluoromethyl)phenoxy]methyl]benzaldehyde has a molecular weight of 310.27 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[[3-(trifluoromethyl)phenoxy]methyl]benzaldehyde is sourced from PubChem (CID 842707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).