3-bromo-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;3-chloro-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;3-cyclopropyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;3-ethyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;bis(3-methyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride)

C109H112BrCl7O12 — CID 159284402

About 3-bromo-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;3-chloro-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;3-cyclopropyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;3-ethyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;bis(3-methyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride)

3-bromo-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;3-chloro-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;3-cyclopropyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;3-ethyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;bis(3-methyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride) (PubChem CID 159284402) has the molecular formula C109H112BrCl7O12 and a molecular weight of 1942.16 g/mol. Its IUPAC name is 3-bromo-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;3-chloro-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;3-cyclopropyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;3-ethyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;bis(3-methyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride).

Molecular Properties

• Compound Name: 3-bromo-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;3-chloro-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;3-cyclopropyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;3-ethyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;bis(3-methyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride)
• PubChem CID: 159284402
• Molecular Formula: C109H112BrCl7O12
• Molecular Weight: 1942.16 g/mol
• Exact Mass: 1936.52
• IUPAC Name: 3-bromo-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;3-chloro-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;3-cyclopropyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;3-ethyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;bis(3-methyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride)
• SMILES: CCc1cccc(C(=O)Cl)c1COc1cc(C)c(C)cc1C.Cc1cc(C)c(OCc2c(Br)cccc2C(=O)Cl)cc1C.Cc1cc(C)c(OCc2c(C(=O)Cl)cccc2C2CC2)cc1C.Cc1cc(C)c(OCc2c(C)cccc2C(=O)Cl)cc1C.Cc1cc(C)c(OCc2c(C)cccc2C(=O)Cl)cc1C.Cc1cc(C)c(OCc2c(Cl)cccc2C(=O)Cl)cc1C
• InChI: InChI=1S/C20H21ClO2.C19H21ClO2.2C18H19ClO2.C17H16BrClO2.C17H16Cl2O2/c1-12-9-14(3)19(10-13(12)2)23-11-18-16(15-7-8-15)5-4-6-17(18)20(21)22;1-5-15-7-6-8-16(19(20)21)17(15)11-22-18-10-13(3)12(2)9-14(18)4;2*1-11-6-5-7-15(18(19)20)16(11)10-21-17-9-13(3)12(2)8-14(17)4;2*1-10-7-12(3)16(8-11(10)2)21-9-14-13(17(19)20)5-4-6-15(14)18/h4-6,9-10,15H,7-8,11H2,1-3H3;6-10H,5,11H2,1-4H3;2*5-9H,10H2,1-4H3;2*4-8H,9H2,1-3H3
• InChIKey: KZIBQXMCDRIZOW-UHFFFAOYSA-N
• XLogP: 30.89
• TPSA: 157.80 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 26
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1942.16
LogP ≤ 5	30.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;3-chloro-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;3-cyclopropyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;3-ethyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;bis(3-methyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride)?

The IUPAC name of 3-bromo-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;3-chloro-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;3-cyclopropyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;3-ethyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;bis(3-methyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride) (CID 159284402) is 3-bromo-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;3-chloro-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;3-cyclopropyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;3-ethyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;bis(3-methyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride).

What is the SMILES notation for 3-bromo-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;3-chloro-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;3-cyclopropyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;3-ethyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;bis(3-methyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride)?

The canonical SMILES for 3-bromo-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;3-chloro-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;3-cyclopropyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;3-ethyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;bis(3-methyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride) is CCc1cccc(C(=O)Cl)c1COc1cc(C)c(C)cc1C.Cc1cc(C)c(OCc2c(Br)cccc2C(=O)Cl)cc1C.Cc1cc(C)c(OCc2c(C(=O)Cl)cccc2C2CC2)cc1C.Cc1cc(C)c(OCc2c(C)cccc2C(=O)Cl)cc1C.Cc1cc(C)c(OCc2c(C)cccc2C(=O)Cl)cc1C.Cc1cc(C)c(OCc2c(Cl)cccc2C(=O)Cl)cc1C.

What is the InChIKey of 3-bromo-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;3-chloro-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;3-cyclopropyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;3-ethyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;bis(3-methyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride)?

The InChIKey is KZIBQXMCDRIZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClO2.C19H21ClO2.2C18H19ClO2.C17H16BrClO2.C17H16Cl2O2/c1-12-9-14(3)19(10-13(12)2)23-11-18-16(15-7-8-15)5-4-6-17(18)20(21)22;1-5-15-7-6-8-16(19(20)21)17(15)11-22-18-10-13(3)12(2)9-14(18)4;2*1-11-6-5-7-15(18(19)20)16(11)10-21-17-9-13(3)12(2)8-14(17)4;2*1-10-7-12(3)16(8-11(10)2)21-9-14-13(17(19)20)5-4-6-15(14)18/h4-6,9-10,15H,7-8,11H2,1-3H3;6-10H,5,11H2,1-4H3;2*5-9H,10H2,1-4H3;2*4-8H,9H2,1-3H3.

What are the key properties of 3-bromo-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;3-chloro-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;3-cyclopropyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;3-ethyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;bis(3-methyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride)?

3-bromo-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;3-chloro-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;3-cyclopropyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;3-ethyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;bis(3-methyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride) has a molecular weight of 1942.16 g/mol, XLogP of 30.89, 26 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;3-chloro-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;3-cyclopropyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;3-ethyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;bis(3-methyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride) is sourced from PubChem (CID 159284402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).