4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmethoxybenzaldehyde

C23H16F6O3 — CID 86668560

IUPAC4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmethoxybenzaldehyde
SMILESO=Cc1ccc(OCc2ccc(C(F)(F)F)cc2C(F)(F)F)c(OCc2ccccc2)c1
InChIInChI=1S/C23H16F6O3/c24-22(25,26)18-8-7-17(19(11-18)23(27,28)29)14-32-20-9-6-16(12-30)10-21(20)31-13-15-4-2-1-3-5-15/h1-12H,13-14H2
InChIKeyJLHGUWNCNCRTAT-UHFFFAOYSA-N
MW454.37 g/mol
LogP6.69
Rot. Bonds7

About 4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmethoxybenzaldehyde

4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmethoxybenzaldehyde (PubChem CID 86668560) has the molecular formula C23H16F6O3 and a molecular weight of 454.37 g/mol. Its IUPAC name is 4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmethoxybenzaldehyde.

Molecular Properties

Compound Name4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmethoxybenzaldehyde
PubChem CID86668560
Molecular FormulaC23H16F6O3
Molecular Weight454.37 g/mol
Exact Mass454.10
IUPAC Name4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmethoxybenzaldehyde
SMILESO=Cc1ccc(OCc2ccc(C(F)(F)F)cc2C(F)(F)F)c(OCc2ccccc2)c1
InChIInChI=1S/C23H16F6O3/c24-22(25,26)18-8-7-17(19(11-18)23(27,28)29)14-32-20-9-6-16(12-30)10-21(20)31-13-15-4-2-1-3-5-15/h1-12H,13-14H2
InChIKeyJLHGUWNCNCRTAT-UHFFFAOYSA-N
XLogP6.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.37
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmethoxybenzaldehyde 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

3-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenoxy]methyl]benzaldehyde
CID 121424163
4-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-3-methoxybenzaldehyde
CID 143085806
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
3-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-5-(trifluoromethoxy)benzaldehyde
CID 122476736
4-[[4-(fluoromethyl)phenyl]methoxy]-3-(trifluoromethyl)benzaldehyde
CID 89022635
4-phenylmethoxy-3-(tritiomethoxy)benzaldehyde
CID 10562246
3-(2-phenylmethoxyphenyl)-4-(2,2,2-trifluoroethoxy)benzaldehyde
CID 165416818
3-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-2-methyl-N'-phenylprop-2-enehydrazide
CID 72813232
(4-formyl-2-phenylmethoxyphenyl) acetate
CID 71357562
(4Z)-1-benzyl-4-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methylidene]-5-iminoimidazolidin-2-one
CID 86668604
methyl (Z)-3-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-2-fluoroprop-2-enoate
CID 151454507
3-[(benzylamino)methyl]-4-phenylmethoxybenzaldehyde
CID 139985120

Frequently Asked Questions

What is the IUPAC name of 4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmethoxybenzaldehyde?
The IUPAC name of 4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmethoxybenzaldehyde (CID 86668560) is 4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmethoxybenzaldehyde.
What is the SMILES notation for 4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmethoxybenzaldehyde?
The canonical SMILES for 4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmethoxybenzaldehyde is O=Cc1ccc(OCc2ccc(C(F)(F)F)cc2C(F)(F)F)c(OCc2ccccc2)c1.
What is the InChIKey of 4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmethoxybenzaldehyde?
The InChIKey is JLHGUWNCNCRTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F6O3/c24-22(25,26)18-8-7-17(19(11-18)23(27,28)29)14-32-20-9-6-16(12-30)10-21(20)31-13-15-4-2-1-3-5-15/h1-12H,13-14H2.
What are the key properties of 4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmethoxybenzaldehyde?
4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmethoxybenzaldehyde has a molecular weight of 454.37 g/mol, XLogP of 6.69, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmethoxybenzaldehyde is sourced from PubChem (CID 86668560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).