5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]benzoyl chloride

C14H8Cl3FO2 — CID 46779766

IUPAC5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]benzoyl chloride
SMILESO=C(Cl)c1cc(Cl)ccc1OCc1ccc(F)cc1Cl
InChIInChI=1S/C14H8Cl3FO2/c15-9-2-4-13(11(5-9)14(17)19)20-7-8-1-3-10(18)6-12(8)16/h1-6H,7H2
InChIKeyQXIPIQVIJRDPLI-UHFFFAOYSA-N
MW333.57 g/mol
LogP5.09
Rot. Bonds4

About 5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]benzoyl chloride

5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]benzoyl chloride (PubChem CID 46779766) has the molecular formula C14H8Cl3FO2 and a molecular weight of 333.57 g/mol. Its IUPAC name is 5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]benzoyl chloride.

Molecular Properties

Compound Name5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]benzoyl chloride
PubChem CID46779766
Molecular FormulaC14H8Cl3FO2
Molecular Weight333.57 g/mol
Exact Mass331.96
IUPAC Name5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]benzoyl chloride
SMILESO=C(Cl)c1cc(Cl)ccc1OCc1ccc(F)cc1Cl
InChIInChI=1S/C14H8Cl3FO2/c15-9-2-4-13(11(5-9)14(17)19)20-7-8-1-3-10(18)6-12(8)16/h1-6H,7H2
InChIKeyQXIPIQVIJRDPLI-UHFFFAOYSA-N
XLogP5.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.57
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-[(2,4-dichlorophenyl)methoxy]benzoyl chloride
CID 46779761
5-chloro-2-[(2,4-dichlorophenyl)methoxy]benzoic acid
CID 8707091
2-[(2-bromo-4-fluorophenyl)methoxy]-5-chlorobenzoic acid
CID 43217717
1-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanone
CID 115610625
2-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxybenzoic acid
CID 43212951
3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzoic acid
CID 60651644
5-chloro-2-[(2-methylphenyl)methoxy]benzoyl chloride
CID 46779753
1-[2-[(5-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanone
CID 103046643
5-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403345
5-chloro-2-[(3,4-dichlorophenyl)methoxy]benzoyl chloride
CID 46779756
1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanone
CID 106863598
methyl 5-[[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate
CID 143316139

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]benzoyl chloride?
The IUPAC name of 5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]benzoyl chloride (CID 46779766) is 5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]benzoyl chloride.
What is the SMILES notation for 5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]benzoyl chloride?
The canonical SMILES for 5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]benzoyl chloride is O=C(Cl)c1cc(Cl)ccc1OCc1ccc(F)cc1Cl.
What is the InChIKey of 5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]benzoyl chloride?
The InChIKey is QXIPIQVIJRDPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3FO2/c15-9-2-4-13(11(5-9)14(17)19)20-7-8-1-3-10(18)6-12(8)16/h1-6H,7H2.
What are the key properties of 5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]benzoyl chloride?
5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]benzoyl chloride has a molecular weight of 333.57 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]benzoyl chloride is sourced from PubChem (CID 46779766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).