4-(3-chlorophenoxy)-3-fluorobenzaldehyde

C13H8ClFO2 — CID 28604089

IUPAC4-(3-chlorophenoxy)-3-fluorobenzaldehyde
SMILESO=Cc1ccc(Oc2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C13H8ClFO2/c14-10-2-1-3-11(7-10)17-13-5-4-9(8-16)6-12(13)15/h1-8H
InChIKeyIFHHMVORNYWPJF-UHFFFAOYSA-N
MW250.66 g/mol
LogP4.08
Rot. Bonds3

About 4-(3-chlorophenoxy)-3-fluorobenzaldehyde

4-(3-chlorophenoxy)-3-fluorobenzaldehyde (PubChem CID 28604089) has the molecular formula C13H8ClFO2 and a molecular weight of 250.66 g/mol. Its IUPAC name is 4-(3-chlorophenoxy)-3-fluorobenzaldehyde.

Molecular Properties

Compound Name4-(3-chlorophenoxy)-3-fluorobenzaldehyde
PubChem CID28604089
Molecular FormulaC13H8ClFO2
Molecular Weight250.66 g/mol
Exact Mass250.02
IUPAC Name4-(3-chlorophenoxy)-3-fluorobenzaldehyde
SMILESO=Cc1ccc(Oc2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C13H8ClFO2/c14-10-2-1-3-11(7-10)17-13-5-4-9(8-16)6-12(13)15/h1-8H
InChIKeyIFHHMVORNYWPJF-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-Ethoxybenzaldehyde
CID 24834
4-Phenoxybenzaldehyde
CID 66139
4-Chloro-4'-methoxychalcone
CID 5302715
2-Chloro-4'-methoxychalcone
CID 5354554
1-[2-Chloro-4-(4-chlorophenoxy)phenyl]ethanone
CID 677479
4-Propoxybenzaldehyde
CID 79812
4-Chloro-4'-methoxybenzophenone
CID 82719
1-[4-[(4-Fluorophenyl)methoxy]phenyl]ethanone
CID 2737276
4'-Chloro-4-methoxychalcone
CID 5337609
Benzaldehyde, 4-(phenylmethoxy)-
CID 78109
4-[(4-Chlorobenzyl)oxy]-3-ethoxybenzaldehyde
CID 693306
4,4'-Oxybis(benzoyl Chloride)
CID 23546

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenoxy)-3-fluorobenzaldehyde?
The IUPAC name of 4-(3-chlorophenoxy)-3-fluorobenzaldehyde (CID 28604089) is 4-(3-chlorophenoxy)-3-fluorobenzaldehyde.
What is the SMILES notation for 4-(3-chlorophenoxy)-3-fluorobenzaldehyde?
The canonical SMILES for 4-(3-chlorophenoxy)-3-fluorobenzaldehyde is O=Cc1ccc(Oc2cccc(Cl)c2)c(F)c1.
What is the InChIKey of 4-(3-chlorophenoxy)-3-fluorobenzaldehyde?
The InChIKey is IFHHMVORNYWPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFO2/c14-10-2-1-3-11(7-10)17-13-5-4-9(8-16)6-12(13)15/h1-8H.
What are the key properties of 4-(3-chlorophenoxy)-3-fluorobenzaldehyde?
4-(3-chlorophenoxy)-3-fluorobenzaldehyde 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-chlorophenoxy)-3-fluorobenzaldehyde is sourced from PubChem (CID 28604089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).