2-[4-(difluoromethyl)phenyl]-4-phenylmethoxybenzaldehyde

C21H16F2O2 — CID 172651345

IUPAC2-[4-(difluoromethyl)phenyl]-4-phenylmethoxybenzaldehyde
SMILESO=Cc1ccc(OCc2ccccc2)cc1-c1ccc(C(F)F)cc1
InChIInChI=1S/C21H16F2O2/c22-21(23)17-8-6-16(7-9-17)20-12-19(11-10-18(20)13-24)25-14-15-4-2-1-3-5-15/h1-13,21H,14H2
InChIKeyRPHGWLHFDRHVMP-UHFFFAOYSA-N
MW338.35 g/mol
LogP5.68
Rot. Bonds6

About 2-[4-(difluoromethyl)phenyl]-4-phenylmethoxybenzaldehyde

2-[4-(difluoromethyl)phenyl]-4-phenylmethoxybenzaldehyde (PubChem CID 172651345) has the molecular formula C21H16F2O2 and a molecular weight of 338.35 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)phenyl]-4-phenylmethoxybenzaldehyde.

Molecular Properties

Compound Name2-[4-(difluoromethyl)phenyl]-4-phenylmethoxybenzaldehyde
PubChem CID172651345
Molecular FormulaC21H16F2O2
Molecular Weight338.35 g/mol
Exact Mass338.11
IUPAC Name2-[4-(difluoromethyl)phenyl]-4-phenylmethoxybenzaldehyde
SMILESO=Cc1ccc(OCc2ccccc2)cc1-c1ccc(C(F)F)cc1
InChIInChI=1S/C21H16F2O2/c22-21(23)17-8-6-16(7-9-17)20-12-19(11-10-18(20)13-24)25-14-15-4-2-1-3-5-15/h1-13,21H,14H2
InChIKeyRPHGWLHFDRHVMP-UHFFFAOYSA-N
XLogP5.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.35
LogP ≤ 55.68
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-[4-(difluoromethyl)phenyl]-5-phenylmethoxybenzaldehyde
CID 172651354
2-naphthalen-2-yl-4-phenylmethoxybenzaldehyde
CID 172649681
2-(2-methylpyrimidin-5-yl)-4-phenylmethoxybenzaldehyde
CID 172651179
2-[4-(difluoromethyl)phenyl]-5-ethoxybenzaldehyde
CID 172651355
2-bromo-4-phenylmethoxybenzaldehyde
CID 11173819
2-hydroxy-3-(4-phenylmethoxyphenyl)benzaldehyde
CID 53220652
2,6-bis(phenylmethoxy)anthracene-9,10-dione
CID 147621413
3,5-difluoro-2-(4-phenylmethoxyphenyl)benzaldehyde
CID 170457674
tert-butyl 4-(2-formyl-4-phenylmethoxyphenyl)benzoate
CID 178183478
[3-(difluoromethyl)-4-(4-phenylmethoxyphenyl)phenyl]methanol
CID 170919037
2-chloro-4-(4-phenylmethoxythiophen-2-yl)benzaldehyde
CID 174496175
2-phenyl-5-phenylmethoxyphenol
CID 123808909

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)phenyl]-4-phenylmethoxybenzaldehyde?
The IUPAC name of 2-[4-(difluoromethyl)phenyl]-4-phenylmethoxybenzaldehyde (CID 172651345) is 2-[4-(difluoromethyl)phenyl]-4-phenylmethoxybenzaldehyde.
What is the SMILES notation for 2-[4-(difluoromethyl)phenyl]-4-phenylmethoxybenzaldehyde?
The canonical SMILES for 2-[4-(difluoromethyl)phenyl]-4-phenylmethoxybenzaldehyde is O=Cc1ccc(OCc2ccccc2)cc1-c1ccc(C(F)F)cc1.
What is the InChIKey of 2-[4-(difluoromethyl)phenyl]-4-phenylmethoxybenzaldehyde?
The InChIKey is RPHGWLHFDRHVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2O2/c22-21(23)17-8-6-16(7-9-17)20-12-19(11-10-18(20)13-24)25-14-15-4-2-1-3-5-15/h1-13,21H,14H2.
What are the key properties of 2-[4-(difluoromethyl)phenyl]-4-phenylmethoxybenzaldehyde?
2-[4-(difluoromethyl)phenyl]-4-phenylmethoxybenzaldehyde has a molecular weight of 338.35 g/mol, XLogP of 5.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)phenyl]-4-phenylmethoxybenzaldehyde is sourced from PubChem (CID 172651345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).