4-(difluoromethoxy)-3-(3-phenylmethoxyphenyl)benzaldehyde

C21H16F2O3 — CID 166639003

IUPAC4-(difluoromethoxy)-3-(3-phenylmethoxyphenyl)benzaldehyde
SMILESO=Cc1ccc(OC(F)F)c(-c2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C21H16F2O3/c22-21(23)26-20-10-9-16(13-24)11-19(20)17-7-4-8-18(12-17)25-14-15-5-2-1-3-6-15/h1-13,21H,14H2
InChIKeyAAXDLILJSXURJW-UHFFFAOYSA-N
MW354.35 g/mol
LogP5.35
Rot. Bonds7

About 4-(difluoromethoxy)-3-(3-phenylmethoxyphenyl)benzaldehyde

4-(difluoromethoxy)-3-(3-phenylmethoxyphenyl)benzaldehyde (PubChem CID 166639003) has the molecular formula C21H16F2O3 and a molecular weight of 354.35 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-(3-phenylmethoxyphenyl)benzaldehyde.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-(3-phenylmethoxyphenyl)benzaldehyde
PubChem CID166639003
Molecular FormulaC21H16F2O3
Molecular Weight354.35 g/mol
Exact Mass354.11
IUPAC Name4-(difluoromethoxy)-3-(3-phenylmethoxyphenyl)benzaldehyde
SMILESO=Cc1ccc(OC(F)F)c(-c2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C21H16F2O3/c22-21(23)26-20-10-9-16(13-24)11-19(20)17-7-4-8-18(12-17)25-14-15-5-2-1-3-6-15/h1-13,21H,14H2
InChIKeyAAXDLILJSXURJW-UHFFFAOYSA-N
XLogP5.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.35
LogP ≤ 55.35
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

4-methoxy-3-(3-phenylmethoxyphenyl)benzaldehyde
CID 172879583
3-[2-(difluoromethoxy)-5-phenylmethoxyphenyl]benzenesulfonamide
CID 126715220
3-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde
CID 11156824
2-(difluoromethoxy)-4-(3-phenylmethoxyphenyl)benzonitrile
CID 175686570
4-phenylmethoxy-3-thiophen-3-ylbenzaldehyde
CID 172650288
3-[(4-chlorophenyl)methoxy]-4-(difluoromethoxy)benzaldehyde
CID 122475460
3-[(4-methoxy-3-phenylmethoxyphenyl)methoxy]benzaldehyde
CID 11484837
3-(2-fluoro-3-phenylmethoxypropoxy)benzaldehyde
CID 83853943
4-(cyclohexylmethoxy)-3-(4-phenylmethoxyphenyl)benzaldehyde
CID 22616636
2-[3-(difluoromethoxy)phenyl]-4-[(3-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 4070727
3-(2-phenylmethoxyphenyl)-4-(2,2,2-trifluoroethoxy)benzaldehyde
CID 165416818
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-(3-phenylmethoxyphenyl)benzaldehyde?
The IUPAC name of 4-(difluoromethoxy)-3-(3-phenylmethoxyphenyl)benzaldehyde (CID 166639003) is 4-(difluoromethoxy)-3-(3-phenylmethoxyphenyl)benzaldehyde.
What is the SMILES notation for 4-(difluoromethoxy)-3-(3-phenylmethoxyphenyl)benzaldehyde?
The canonical SMILES for 4-(difluoromethoxy)-3-(3-phenylmethoxyphenyl)benzaldehyde is O=Cc1ccc(OC(F)F)c(-c2cccc(OCc3ccccc3)c2)c1.
What is the InChIKey of 4-(difluoromethoxy)-3-(3-phenylmethoxyphenyl)benzaldehyde?
The InChIKey is AAXDLILJSXURJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2O3/c22-21(23)26-20-10-9-16(13-24)11-19(20)17-7-4-8-18(12-17)25-14-15-5-2-1-3-6-15/h1-13,21H,14H2.
What are the key properties of 4-(difluoromethoxy)-3-(3-phenylmethoxyphenyl)benzaldehyde?
4-(difluoromethoxy)-3-(3-phenylmethoxyphenyl)benzaldehyde has a molecular weight of 354.35 g/mol, XLogP of 5.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-(3-phenylmethoxyphenyl)benzaldehyde is sourced from PubChem (CID 166639003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).