5-chloro-2-[2-(2-chlorophenoxy)ethoxy]benzaldehyde

C15H12Cl2O3 — CID 22684407

IUPAC5-chloro-2-[2-(2-chlorophenoxy)ethoxy]benzaldehyde
SMILESO=Cc1cc(Cl)ccc1OCCOc1ccccc1Cl
InChIInChI=1S/C15H12Cl2O3/c16-12-5-6-14(11(9-12)10-18)19-7-8-20-15-4-2-1-3-13(15)17/h1-6,9-10H,7-8H2
InChIKeyQSITYNDALHJVMU-UHFFFAOYSA-N
MW311.16 g/mol
LogP4.26
Rot. Bonds6

About 5-chloro-2-[2-(2-chlorophenoxy)ethoxy]benzaldehyde

5-chloro-2-[2-(2-chlorophenoxy)ethoxy]benzaldehyde (PubChem CID 22684407) has the molecular formula C15H12Cl2O3 and a molecular weight of 311.16 g/mol. Its IUPAC name is 5-chloro-2-[2-(2-chlorophenoxy)ethoxy]benzaldehyde.

Molecular Properties

Compound Name5-chloro-2-[2-(2-chlorophenoxy)ethoxy]benzaldehyde
PubChem CID22684407
Molecular FormulaC15H12Cl2O3
Molecular Weight311.16 g/mol
Exact Mass310.02
IUPAC Name5-chloro-2-[2-(2-chlorophenoxy)ethoxy]benzaldehyde
SMILESO=Cc1cc(Cl)ccc1OCCOc1ccccc1Cl
InChIInChI=1S/C15H12Cl2O3/c16-12-5-6-14(11(9-12)10-18)19-7-8-20-15-4-2-1-3-13(15)17/h1-6,9-10H,7-8H2
InChIKeyQSITYNDALHJVMU-UHFFFAOYSA-N
XLogP4.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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3-[5-chloro-2-[2-(2-chlorophenoxy)ethoxy]phenyl]-2-cyanoprop-2-enoic acid
CID 20985693
5-chloro-2-(3,3,3-trifluoropropoxy)benzaldehyde
CID 60772707
5-chloro-2-[2-(2,5-dimethylphenoxy)ethoxy]benzaldehyde
CID 20992054
5-chloro-2-naphthalen-1-yloxybenzaldehyde
CID 114844762
5-chloro-2-(3-hydroxy-3-methylbutoxy)benzaldehyde
CID 79354849
5-chloro-2-pent-3-ynoxybenzaldehyde
CID 104744169
5-chloro-2-(2-hydroxy-2-phenylethoxy)benzaldehyde
CID 60884802
2-[2-(2,4-dichlorophenoxy)ethoxy]aniline
CID 39418958
5-chloro-2-[2-(4-propylphenoxy)ethoxy]benzaldehyde
CID 20988288
2-but-2-ynoxy-5-chlorobenzaldehyde
CID 62310355

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(2-chlorophenoxy)ethoxy]benzaldehyde?
The IUPAC name of 5-chloro-2-[2-(2-chlorophenoxy)ethoxy]benzaldehyde (CID 22684407) is 5-chloro-2-[2-(2-chlorophenoxy)ethoxy]benzaldehyde.
What is the SMILES notation for 5-chloro-2-[2-(2-chlorophenoxy)ethoxy]benzaldehyde?
The canonical SMILES for 5-chloro-2-[2-(2-chlorophenoxy)ethoxy]benzaldehyde is O=Cc1cc(Cl)ccc1OCCOc1ccccc1Cl.
What is the InChIKey of 5-chloro-2-[2-(2-chlorophenoxy)ethoxy]benzaldehyde?
The InChIKey is QSITYNDALHJVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O3/c16-12-5-6-14(11(9-12)10-18)19-7-8-20-15-4-2-1-3-13(15)17/h1-6,9-10H,7-8H2.
What are the key properties of 5-chloro-2-[2-(2-chlorophenoxy)ethoxy]benzaldehyde?
5-chloro-2-[2-(2-chlorophenoxy)ethoxy]benzaldehyde has a molecular weight of 311.16 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-(2-chlorophenoxy)ethoxy]benzaldehyde is sourced from PubChem (CID 22684407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).