4-(4-fluorophenoxy)benzaldehyde

C13H9FO2 — CID 3856802

IUPAC4-(4-fluorophenoxy)benzaldehyde
SMILESO=Cc1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C13H9FO2/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-9H
InChIKeyYUPBWHURNLRZQL-UHFFFAOYSA-N
MW216.21 g/mol
LogP3.43
Rot. Bonds3

About 4-(4-fluorophenoxy)benzaldehyde

4-(4-fluorophenoxy)benzaldehyde (PubChem CID 3856802) has the molecular formula C13H9FO2 and a molecular weight of 216.21 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)benzaldehyde.

Molecular Properties

Compound Name4-(4-fluorophenoxy)benzaldehyde
PubChem CID3856802
Molecular FormulaC13H9FO2
Molecular Weight216.21 g/mol
Exact Mass216.06
IUPAC Name4-(4-fluorophenoxy)benzaldehyde
SMILESO=Cc1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C13H9FO2/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-9H
InChIKeyYUPBWHURNLRZQL-UHFFFAOYSA-N
XLogP3.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 53.43
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

4-[2,3,5,6-tetrafluoro-4-(4-formylphenoxy)phenoxy]benzaldehyde
CID 1380013
4-(2,4,6-trifluorophenoxy)benzaldehyde
CID 178142312
4-[2-(4-fluorophenyl)ethoxy]benzaldehyde
CID 87614238
4-(3-chloro-4-fluorophenoxy)benzaldehyde
CID 63877798
ethane-1,2-diol;4-fluorobenzaldehyde
CID 175223595
2-[4-(4-fluorophenoxy)phenyl]acetaldehyde
CID 87855455
fluorobenzene;4-methoxybenzaldehyde
CID 175119443
acetaldehyde;4-[(4-fluorophenyl)methoxy]benzaldehyde
CID 175354116
4-(2,3-difluoro-4-methylphenoxy)benzaldehyde
CID 173255133
4-(2-hydroxyphenoxy)benzaldehyde
CID 13266147
2-fluoro-4-(4-formylphenoxy)benzonitrile;4-fluoro-2-(4-formylphenoxy)benzonitrile
CID 162039414
4-(4-bromo-2-fluorophenoxy)benzaldehyde
CID 15143249

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)benzaldehyde?
The IUPAC name of 4-(4-fluorophenoxy)benzaldehyde (CID 3856802) is 4-(4-fluorophenoxy)benzaldehyde.
What is the SMILES notation for 4-(4-fluorophenoxy)benzaldehyde?
The canonical SMILES for 4-(4-fluorophenoxy)benzaldehyde is O=Cc1ccc(Oc2ccc(F)cc2)cc1.
What is the InChIKey of 4-(4-fluorophenoxy)benzaldehyde?
The InChIKey is YUPBWHURNLRZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FO2/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-9H.
What are the key properties of 4-(4-fluorophenoxy)benzaldehyde?
4-(4-fluorophenoxy)benzaldehyde has a molecular weight of 216.21 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)benzaldehyde is sourced from PubChem (CID 3856802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).