4-chloro-2-(2,3-dichlorophenoxy)benzaldehyde

C13H7Cl3O2 — CID 114844667

IUPAC4-chloro-2-(2,3-dichlorophenoxy)benzaldehyde
SMILESO=Cc1ccc(Cl)cc1Oc1cccc(Cl)c1Cl
InChIInChI=1S/C13H7Cl3O2/c14-9-5-4-8(7-17)12(6-9)18-11-3-1-2-10(15)13(11)16/h1-7H
InChIKeyWTTSXJIUTRLNQP-UHFFFAOYSA-N
MW301.56 g/mol
LogP5.25
Rot. Bonds3

About 4-chloro-2-(2,3-dichlorophenoxy)benzaldehyde

4-chloro-2-(2,3-dichlorophenoxy)benzaldehyde (PubChem CID 114844667) has the molecular formula C13H7Cl3O2 and a molecular weight of 301.56 g/mol. Its IUPAC name is 4-chloro-2-(2,3-dichlorophenoxy)benzaldehyde.

Molecular Properties

Compound Name4-chloro-2-(2,3-dichlorophenoxy)benzaldehyde
PubChem CID114844667
Molecular FormulaC13H7Cl3O2
Molecular Weight301.56 g/mol
Exact Mass299.95
IUPAC Name4-chloro-2-(2,3-dichlorophenoxy)benzaldehyde
SMILESO=Cc1ccc(Cl)cc1Oc1cccc(Cl)c1Cl
InChIInChI=1S/C13H7Cl3O2/c14-9-5-4-8(7-17)12(6-9)18-11-3-1-2-10(15)13(11)16/h1-7H
InChIKeyWTTSXJIUTRLNQP-UHFFFAOYSA-N
XLogP5.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.56
LogP ≤ 55.25
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

1,2-dichloro-3-(2,5-dichlorophenoxy)benzene
CID 72941858
4-chloro-2-(2,4,5-trichlorophenoxy)benzaldehyde
CID 114844686
4-chloro-2-quinolin-5-yloxybenzaldehyde
CID 103045115
2-(2,3-dichlorophenoxy)-5-methylbenzaldehyde
CID 114054289
2-(5-bromo-2-chlorophenoxy)-4-chlorobenzaldehyde
CID 114844928
4-chloro-2-(3-fluorophenoxy)benzaldehyde
CID 58753975
4-chloro-2-(3-ethoxyphenoxy)benzaldehyde
CID 114844906
1,2-dichloro-3-(3-chlorophenoxy)benzene
CID 72941852
2-(4-chloro-2-methylphenoxy)benzaldehyde
CID 30054969
1,2-dichloro-3-(2,6-dichlorophenoxy)benzene
CID 72941859
5-chloro-2-(2-chloro-6-nitrophenoxy)benzaldehyde
CID 107717215
4-(5-chloro-2-formylphenoxy)-3-fluorobenzonitrile
CID 107665713

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,3-dichlorophenoxy)benzaldehyde?
The IUPAC name of 4-chloro-2-(2,3-dichlorophenoxy)benzaldehyde (CID 114844667) is 4-chloro-2-(2,3-dichlorophenoxy)benzaldehyde.
What is the SMILES notation for 4-chloro-2-(2,3-dichlorophenoxy)benzaldehyde?
The canonical SMILES for 4-chloro-2-(2,3-dichlorophenoxy)benzaldehyde is O=Cc1ccc(Cl)cc1Oc1cccc(Cl)c1Cl.
What is the InChIKey of 4-chloro-2-(2,3-dichlorophenoxy)benzaldehyde?
The InChIKey is WTTSXJIUTRLNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3O2/c14-9-5-4-8(7-17)12(6-9)18-11-3-1-2-10(15)13(11)16/h1-7H.
What are the key properties of 4-chloro-2-(2,3-dichlorophenoxy)benzaldehyde?
4-chloro-2-(2,3-dichlorophenoxy)benzaldehyde has a molecular weight of 301.56 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,3-dichlorophenoxy)benzaldehyde is sourced from PubChem (CID 114844667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).