5-chloro-2-[(3,4-dichlorophenyl)methoxy]benzoyl chloride

C14H8Cl4O2 — CID 46779756

IUPAC5-chloro-2-[(3,4-dichlorophenyl)methoxy]benzoyl chloride
SMILESO=C(Cl)c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H8Cl4O2/c15-9-2-4-13(10(6-9)14(18)19)20-7-8-1-3-11(16)12(17)5-8/h1-6H,7H2
InChIKeyORTLYGUSUPFWIL-UHFFFAOYSA-N
MW350.03 g/mol
LogP5.60
Rot. Bonds4

About 5-chloro-2-[(3,4-dichlorophenyl)methoxy]benzoyl chloride

5-chloro-2-[(3,4-dichlorophenyl)methoxy]benzoyl chloride (PubChem CID 46779756) has the molecular formula C14H8Cl4O2 and a molecular weight of 350.03 g/mol. Its IUPAC name is 5-chloro-2-[(3,4-dichlorophenyl)methoxy]benzoyl chloride.

Molecular Properties

Compound Name5-chloro-2-[(3,4-dichlorophenyl)methoxy]benzoyl chloride
PubChem CID46779756
Molecular FormulaC14H8Cl4O2
Molecular Weight350.03 g/mol
Exact Mass347.93
IUPAC Name5-chloro-2-[(3,4-dichlorophenyl)methoxy]benzoyl chloride
SMILESO=C(Cl)c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H8Cl4O2/c15-9-2-4-13(10(6-9)14(18)19)20-7-8-1-3-11(16)12(17)5-8/h1-6H,7H2
InChIKeyORTLYGUSUPFWIL-UHFFFAOYSA-N
XLogP5.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.03
LogP ≤ 55.60
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-[(3,4-dichlorophenyl)methoxy]benzenecarbothioamide
CID 20991923
5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]benzoyl chloride
CID 46779766
5-chloro-2-[(3-chlorophenyl)methoxy]benzoate
CID 7023057
5-chloro-2-propoxybenzoyl chloride
CID 12863236
5-chloro-2-[(2-methylphenyl)methoxy]benzoyl chloride
CID 46779753
3-chloro-4-[(3,4-dichlorophenyl)methoxy]benzamide
CID 91683401
2-[(3,4-dichlorophenyl)methoxy]-N-methylbenzamide
CID 13073632
5-bromo-2-[(2,4-dichlorophenyl)methoxy]benzoyl chloride
CID 46779761
1-[5-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 63499414
3-chloro-4-[(3,4-dichlorophenyl)methoxy]benzohydrazide
CID 91683384
4-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzamide
CID 6458100
[4-[(3,4-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686337

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(3,4-dichlorophenyl)methoxy]benzoyl chloride?
The IUPAC name of 5-chloro-2-[(3,4-dichlorophenyl)methoxy]benzoyl chloride (CID 46779756) is 5-chloro-2-[(3,4-dichlorophenyl)methoxy]benzoyl chloride.
What is the SMILES notation for 5-chloro-2-[(3,4-dichlorophenyl)methoxy]benzoyl chloride?
The canonical SMILES for 5-chloro-2-[(3,4-dichlorophenyl)methoxy]benzoyl chloride is O=C(Cl)c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-chloro-2-[(3,4-dichlorophenyl)methoxy]benzoyl chloride?
The InChIKey is ORTLYGUSUPFWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl4O2/c15-9-2-4-13(10(6-9)14(18)19)20-7-8-1-3-11(16)12(17)5-8/h1-6H,7H2.
What are the key properties of 5-chloro-2-[(3,4-dichlorophenyl)methoxy]benzoyl chloride?
5-chloro-2-[(3,4-dichlorophenyl)methoxy]benzoyl chloride has a molecular weight of 350.03 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(3,4-dichlorophenyl)methoxy]benzoyl chloride is sourced from PubChem (CID 46779756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).