5-bromo-2-[(2,4-dichlorophenyl)methoxy]benzoyl chloride

C14H8BrCl3O2 — CID 46779761

IUPAC5-bromo-2-[(2,4-dichlorophenyl)methoxy]benzoyl chloride
SMILESO=C(Cl)c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H8BrCl3O2/c15-9-2-4-13(11(5-9)14(18)19)20-7-8-1-3-10(16)6-12(8)17/h1-6H,7H2
InChIKeyLZFBYQHZGSGRRP-UHFFFAOYSA-N
MW394.48 g/mol
LogP5.71
Rot. Bonds4

About 5-bromo-2-[(2,4-dichlorophenyl)methoxy]benzoyl chloride

5-bromo-2-[(2,4-dichlorophenyl)methoxy]benzoyl chloride (PubChem CID 46779761) has the molecular formula C14H8BrCl3O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 5-bromo-2-[(2,4-dichlorophenyl)methoxy]benzoyl chloride.

Molecular Properties

Compound Name5-bromo-2-[(2,4-dichlorophenyl)methoxy]benzoyl chloride
PubChem CID46779761
Molecular FormulaC14H8BrCl3O2
Molecular Weight394.48 g/mol
Exact Mass391.88
IUPAC Name5-bromo-2-[(2,4-dichlorophenyl)methoxy]benzoyl chloride
SMILESO=C(Cl)c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H8BrCl3O2/c15-9-2-4-13(11(5-9)14(18)19)20-7-8-1-3-10(16)6-12(8)17/h1-6H,7H2
InChIKeyLZFBYQHZGSGRRP-UHFFFAOYSA-N
XLogP5.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.48
LogP ≤ 55.71
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-chloro-2-[(2,4-dichlorophenyl)methoxy]benzoic acid
CID 8707091
5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]benzoyl chloride
CID 46779766
5-bromo-2-[(2,5-dichlorophenyl)methoxy]benzoic acid
CID 65317579
1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-2,4-dichlorobenzene
CID 28981500
(NE)-N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 6898107
1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanone
CID 106863598
[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 168533091
(E)-3-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-2-cyanoprop-2-enamide
CID 17269852
(1R)-1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 78944107
4-[(2-bromo-4-chlorophenoxy)methyl]-3-chlorobenzoic acid
CID 102670133
5-chloro-2-[(2-methylphenyl)methoxy]benzoyl chloride
CID 46779753
5-chloro-2-[(3,4-dichlorophenyl)methoxy]benzoyl chloride
CID 46779756

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2,4-dichlorophenyl)methoxy]benzoyl chloride?
The IUPAC name of 5-bromo-2-[(2,4-dichlorophenyl)methoxy]benzoyl chloride (CID 46779761) is 5-bromo-2-[(2,4-dichlorophenyl)methoxy]benzoyl chloride.
What is the SMILES notation for 5-bromo-2-[(2,4-dichlorophenyl)methoxy]benzoyl chloride?
The canonical SMILES for 5-bromo-2-[(2,4-dichlorophenyl)methoxy]benzoyl chloride is O=C(Cl)c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 5-bromo-2-[(2,4-dichlorophenyl)methoxy]benzoyl chloride?
The InChIKey is LZFBYQHZGSGRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl3O2/c15-9-2-4-13(11(5-9)14(18)19)20-7-8-1-3-10(16)6-12(8)17/h1-6H,7H2.
What are the key properties of 5-bromo-2-[(2,4-dichlorophenyl)methoxy]benzoyl chloride?
5-bromo-2-[(2,4-dichlorophenyl)methoxy]benzoyl chloride has a molecular weight of 394.48 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2,4-dichlorophenyl)methoxy]benzoyl chloride is sourced from PubChem (CID 46779761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).