3,5-difluoro-2-(4-phenylmethoxyphenyl)benzaldehyde

C20H14F2O2 — CID 170457674

IUPAC3,5-difluoro-2-(4-phenylmethoxyphenyl)benzaldehyde
SMILESO=Cc1cc(F)cc(F)c1-c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H14F2O2/c21-17-10-16(12-23)20(19(22)11-17)15-6-8-18(9-7-15)24-13-14-4-2-1-3-5-14/h1-12H,13H2
InChIKeyVPNFLKJCXVYLJA-UHFFFAOYSA-N
MW324.33 g/mol
LogP5.02
Rot. Bonds5

About 3,5-difluoro-2-(4-phenylmethoxyphenyl)benzaldehyde

3,5-difluoro-2-(4-phenylmethoxyphenyl)benzaldehyde (PubChem CID 170457674) has the molecular formula C20H14F2O2 and a molecular weight of 324.33 g/mol. Its IUPAC name is 3,5-difluoro-2-(4-phenylmethoxyphenyl)benzaldehyde.

Molecular Properties

Compound Name3,5-difluoro-2-(4-phenylmethoxyphenyl)benzaldehyde
PubChem CID170457674
Molecular FormulaC20H14F2O2
Molecular Weight324.33 g/mol
Exact Mass324.10
IUPAC Name3,5-difluoro-2-(4-phenylmethoxyphenyl)benzaldehyde
SMILESO=Cc1cc(F)cc(F)c1-c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H14F2O2/c21-17-10-16(12-23)20(19(22)11-17)15-6-8-18(9-7-15)24-13-14-4-2-1-3-5-14/h1-12H,13H2
InChIKeyVPNFLKJCXVYLJA-UHFFFAOYSA-N
XLogP5.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.33
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3-(4-phenylmethoxyphenyl)benzaldehyde
CID 53220652
[3,5-difluoro-4-(4-phenylmethoxyphenyl)phenyl]methanol;ethanol
CID 70007811
4,5-difluoro-2-phenylmethoxybenzaldehyde
CID 129164784
3,5-dimethoxy-4-(4-phenylmethoxyphenyl)benzaldehyde
CID 22670004
2-naphthalen-2-yl-4-phenylmethoxybenzaldehyde
CID 172649681
3-fluoro-5-(4-phenylmethoxyphenyl)phenol
CID 53219757
2-bromo-4-phenylmethoxybenzaldehyde
CID 11173819
2-fluoro-4-[(4-fluorophenyl)methoxy]benzaldehyde
CID 89250965
2-[4-(difluoromethyl)phenyl]-5-phenylmethoxybenzaldehyde
CID 172651354
2-[4-(difluoromethyl)phenyl]-4-phenylmethoxybenzaldehyde
CID 172651345
4-(2,6-dimethyl-4-phenylmethoxyphenyl)benzaldehyde
CID 101137305
3-chloro-4-(4-phenylmethoxyphenyl)-5-propan-2-ylbenzaldehyde
CID 101137302

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-2-(4-phenylmethoxyphenyl)benzaldehyde?
The IUPAC name of 3,5-difluoro-2-(4-phenylmethoxyphenyl)benzaldehyde (CID 170457674) is 3,5-difluoro-2-(4-phenylmethoxyphenyl)benzaldehyde.
What is the SMILES notation for 3,5-difluoro-2-(4-phenylmethoxyphenyl)benzaldehyde?
The canonical SMILES for 3,5-difluoro-2-(4-phenylmethoxyphenyl)benzaldehyde is O=Cc1cc(F)cc(F)c1-c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 3,5-difluoro-2-(4-phenylmethoxyphenyl)benzaldehyde?
The InChIKey is VPNFLKJCXVYLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2O2/c21-17-10-16(12-23)20(19(22)11-17)15-6-8-18(9-7-15)24-13-14-4-2-1-3-5-14/h1-12H,13H2.
What are the key properties of 3,5-difluoro-2-(4-phenylmethoxyphenyl)benzaldehyde?
3,5-difluoro-2-(4-phenylmethoxyphenyl)benzaldehyde has a molecular weight of 324.33 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-2-(4-phenylmethoxyphenyl)benzaldehyde is sourced from PubChem (CID 170457674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).