4-(3-chloro-4-fluorophenoxy)benzaldehyde

C13H8ClFO2 — CID 63877798

IUPAC4-(3-chloro-4-fluorophenoxy)benzaldehyde
SMILESO=Cc1ccc(Oc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C13H8ClFO2/c14-12-7-11(5-6-13(12)15)17-10-3-1-9(8-16)2-4-10/h1-8H
InChIKeyMYUIYMKHOUCOFB-UHFFFAOYSA-N
MW250.66 g/mol
LogP4.08
Rot. Bonds3

About 4-(3-chloro-4-fluorophenoxy)benzaldehyde

4-(3-chloro-4-fluorophenoxy)benzaldehyde (PubChem CID 63877798) has the molecular formula C13H8ClFO2 and a molecular weight of 250.66 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenoxy)benzaldehyde.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenoxy)benzaldehyde
PubChem CID63877798
Molecular FormulaC13H8ClFO2
Molecular Weight250.66 g/mol
Exact Mass250.02
IUPAC Name4-(3-chloro-4-fluorophenoxy)benzaldehyde
SMILESO=Cc1ccc(Oc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C13H8ClFO2/c14-12-7-11(5-6-13(12)15)17-10-3-1-9(8-16)2-4-10/h1-8H
InChIKeyMYUIYMKHOUCOFB-UHFFFAOYSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.66
LogP ≤ 54.08
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-(3-chloro-4-fluorophenoxy)-3-fluorobenzaldehyde
CID 63877969
2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene
CID 69010329
4-(4-bromo-3-chlorophenoxy)benzaldehyde
CID 142325397
4-(3-chloro-4-fluorophenoxy)-3-nitrobenzaldehyde
CID 9281846
3-chloro-4-(4-chlorophenoxy)benzaldehyde;3-chloro-4-fluorobenzaldehyde;4-chlorophenol
CID 164986492
4-(4-fluorophenoxy)benzaldehyde
CID 3856802
4-(4-fluoro-3-prop-2-enoxyphenoxy)benzaldehyde
CID 11403025
4-(2,4,6-trifluorophenoxy)benzaldehyde
CID 178142312
2-[4-(3-chloro-4-fluorophenoxy)phenyl]ethanol
CID 71236598
4-fluoro-3-(4-phenoxyphenoxy)benzaldehyde
CID 13368776
4-[2,3,5,6-tetrafluoro-4-(4-formylphenoxy)phenoxy]benzaldehyde
CID 1380013
4-chlorobenzaldehyde
CID 7726

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenoxy)benzaldehyde?
The IUPAC name of 4-(3-chloro-4-fluorophenoxy)benzaldehyde (CID 63877798) is 4-(3-chloro-4-fluorophenoxy)benzaldehyde.
What is the SMILES notation for 4-(3-chloro-4-fluorophenoxy)benzaldehyde?
The canonical SMILES for 4-(3-chloro-4-fluorophenoxy)benzaldehyde is O=Cc1ccc(Oc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 4-(3-chloro-4-fluorophenoxy)benzaldehyde?
The InChIKey is MYUIYMKHOUCOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFO2/c14-12-7-11(5-6-13(12)15)17-10-3-1-9(8-16)2-4-10/h1-8H.
What are the key properties of 4-(3-chloro-4-fluorophenoxy)benzaldehyde?
4-(3-chloro-4-fluorophenoxy)benzaldehyde has a molecular weight of 250.66 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenoxy)benzaldehyde is sourced from PubChem (CID 63877798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).