2-chloro-4-(4-fluorophenoxy)benzaldehyde

C13H8ClFO2 — CID 23433306

IUPAC2-chloro-4-(4-fluorophenoxy)benzaldehyde
SMILESO=Cc1ccc(Oc2ccc(F)cc2)cc1Cl
InChIInChI=1S/C13H8ClFO2/c14-13-7-12(4-1-9(13)8-16)17-11-5-2-10(15)3-6-11/h1-8H
InChIKeyAHUINZYLLMWMSN-UHFFFAOYSA-N
MW250.66 g/mol
LogP4.08
Rot. Bonds3

About 2-chloro-4-(4-fluorophenoxy)benzaldehyde

2-chloro-4-(4-fluorophenoxy)benzaldehyde (PubChem CID 23433306) has the molecular formula C13H8ClFO2 and a molecular weight of 250.66 g/mol. Its IUPAC name is 2-chloro-4-(4-fluorophenoxy)benzaldehyde.

Molecular Properties

Compound Name2-chloro-4-(4-fluorophenoxy)benzaldehyde
PubChem CID23433306
Molecular FormulaC13H8ClFO2
Molecular Weight250.66 g/mol
Exact Mass250.02
IUPAC Name2-chloro-4-(4-fluorophenoxy)benzaldehyde
SMILESO=Cc1ccc(Oc2ccc(F)cc2)cc1Cl
InChIInChI=1S/C13H8ClFO2/c14-13-7-12(4-1-9(13)8-16)17-11-5-2-10(15)3-6-11/h1-8H
InChIKeyAHUINZYLLMWMSN-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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-fluorophenoxy)benzaldehyde?
The IUPAC name of 2-chloro-4-(4-fluorophenoxy)benzaldehyde (CID 23433306) is 2-chloro-4-(4-fluorophenoxy)benzaldehyde.
What is the SMILES notation for 2-chloro-4-(4-fluorophenoxy)benzaldehyde?
The canonical SMILES for 2-chloro-4-(4-fluorophenoxy)benzaldehyde is O=Cc1ccc(Oc2ccc(F)cc2)cc1Cl.
What is the InChIKey of 2-chloro-4-(4-fluorophenoxy)benzaldehyde?
The InChIKey is AHUINZYLLMWMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFO2/c14-13-7-12(4-1-9(13)8-16)17-11-5-2-10(15)3-6-11/h1-8H.
What are the key properties of 2-chloro-4-(4-fluorophenoxy)benzaldehyde?
2-chloro-4-(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 2-chloro-4-(4-fluorophenoxy)benzaldehyde is sourced from PubChem (CID 23433306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).