4-chloro-2-(2,4,5-trichlorophenoxy)benzaldehyde

C13H6Cl4O2 — CID 114844686

IUPAC4-chloro-2-(2,4,5-trichlorophenoxy)benzaldehyde
SMILESO=Cc1ccc(Cl)cc1Oc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C13H6Cl4O2/c14-8-2-1-7(6-18)12(3-8)19-13-5-10(16)9(15)4-11(13)17/h1-6H
InChIKeyPGEQSDXIGQDJCI-UHFFFAOYSA-N
MW336.00 g/mol
LogP5.91
Rot. Bonds3

About 4-chloro-2-(2,4,5-trichlorophenoxy)benzaldehyde

4-chloro-2-(2,4,5-trichlorophenoxy)benzaldehyde (PubChem CID 114844686) has the molecular formula C13H6Cl4O2 and a molecular weight of 336.00 g/mol. Its IUPAC name is 4-chloro-2-(2,4,5-trichlorophenoxy)benzaldehyde.

Molecular Properties

Compound Name4-chloro-2-(2,4,5-trichlorophenoxy)benzaldehyde
PubChem CID114844686
Molecular FormulaC13H6Cl4O2
Molecular Weight336.00 g/mol
Exact Mass333.91
IUPAC Name4-chloro-2-(2,4,5-trichlorophenoxy)benzaldehyde
SMILESO=Cc1ccc(Cl)cc1Oc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C13H6Cl4O2/c14-8-2-1-7(6-18)12(3-8)19-13-5-10(16)9(15)4-11(13)17/h1-6H
InChIKeyPGEQSDXIGQDJCI-UHFFFAOYSA-N
XLogP5.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.00
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(5-bromo-2-chlorophenoxy)-4-chlorobenzaldehyde
CID 114844928
4-chloro-2-(2,3-dichlorophenoxy)benzaldehyde
CID 114844667
4-chloro-2-quinolin-5-yloxybenzaldehyde
CID 103045115
4-bromo-2-(4-bromo-2-chlorophenoxy)benzaldehyde
CID 43364723
4-(5-chloro-2-formylphenoxy)-3-fluorobenzonitrile
CID 107665713
4-chloro-2-(2-methyl-5-propan-2-ylphenoxy)benzaldehyde
CID 114844853
4-chloro-2-(3-fluorophenoxy)benzaldehyde
CID 58753975
4-chloro-2-(4-chloro-3-nitrophenoxy)benzaldehyde
CID 86227851
(5-chloro-2-formylphenyl) nitrate
CID 174612607
2-(4-bromo-2-chlorophenoxy)-5-chlorobenzaldehyde
CID 114844783
4-chloro-2-(3-ethoxyphenoxy)benzaldehyde
CID 114844906
4-chloro-2-(4-cyclohexylphenoxy)benzaldehyde
CID 135357943

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,4,5-trichlorophenoxy)benzaldehyde?
The IUPAC name of 4-chloro-2-(2,4,5-trichlorophenoxy)benzaldehyde (CID 114844686) is 4-chloro-2-(2,4,5-trichlorophenoxy)benzaldehyde.
What is the SMILES notation for 4-chloro-2-(2,4,5-trichlorophenoxy)benzaldehyde?
The canonical SMILES for 4-chloro-2-(2,4,5-trichlorophenoxy)benzaldehyde is O=Cc1ccc(Cl)cc1Oc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 4-chloro-2-(2,4,5-trichlorophenoxy)benzaldehyde?
The InChIKey is PGEQSDXIGQDJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl4O2/c14-8-2-1-7(6-18)12(3-8)19-13-5-10(16)9(15)4-11(13)17/h1-6H.
What are the key properties of 4-chloro-2-(2,4,5-trichlorophenoxy)benzaldehyde?
4-chloro-2-(2,4,5-trichlorophenoxy)benzaldehyde has a molecular weight of 336.00 g/mol, XLogP of 5.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,4,5-trichlorophenoxy)benzaldehyde is sourced from PubChem (CID 114844686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).