methyl 3-(4-bromo-2-chlorobenzoyl)-4-methoxybenzoate

C16H12BrClO4 — CID 67314174

IUPACmethyl 3-(4-bromo-2-chlorobenzoyl)-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)c(C(=O)c2ccc(Br)cc2Cl)c1
InChIInChI=1S/C16H12BrClO4/c1-21-14-6-3-9(16(20)22-2)7-12(14)15(19)11-5-4-10(17)8-13(11)18/h3-8H,1-2H3
InChIKeyGNMYLFJZODXSPU-UHFFFAOYSA-N
MW383.63 g/mol
LogP4.13
Rot. Bonds4

About methyl 3-(4-bromo-2-chlorobenzoyl)-4-methoxybenzoate

methyl 3-(4-bromo-2-chlorobenzoyl)-4-methoxybenzoate (PubChem CID 67314174) has the molecular formula C16H12BrClO4 and a molecular weight of 383.63 g/mol. Its IUPAC name is methyl 3-(4-bromo-2-chlorobenzoyl)-4-methoxybenzoate.

Molecular Properties

Compound Namemethyl 3-(4-bromo-2-chlorobenzoyl)-4-methoxybenzoate
PubChem CID67314174
Molecular FormulaC16H12BrClO4
Molecular Weight383.63 g/mol
Exact Mass381.96
IUPAC Namemethyl 3-(4-bromo-2-chlorobenzoyl)-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)c(C(=O)c2ccc(Br)cc2Cl)c1
InChIInChI=1S/C16H12BrClO4/c1-21-14-6-3-9(16(20)22-2)7-12(14)15(19)11-5-4-10(17)8-13(11)18/h3-8H,1-2H3
InChIKeyGNMYLFJZODXSPU-UHFFFAOYSA-N
XLogP4.13
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.63
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-2-chlorophenyl)-(5-iodo-2-methoxyphenyl)methanone
CID 43805097
methyl 3-(2-chloro-4-nitrobenzoyl)-4-methoxybenzoate
CID 67314034
(4-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 43805125
(5-bromo-2-methoxyphenyl)-(2-chlorophenyl)methanone
CID 43339911
(4-bromo-2-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43805127
(4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanone
CID 43805084
(5-chloro-2-methoxyphenyl)-(2,4-dichlorophenyl)methanone
CID 63492522
methyl 3-acetyl-4-methoxybenzoate
CID 10798398
(2-chloro-4-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 106860799
(4-bromo-2-methylphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43629665
(4-bromo-2-methoxyphenyl)-(4-chloro-2,5-dimethylphenyl)methanone
CID 115368800
(4-chloro-3-methoxyphenyl)-(2,4-dibromophenyl)methanone
CID 107944607

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-bromo-2-chlorobenzoyl)-4-methoxybenzoate?
The IUPAC name of methyl 3-(4-bromo-2-chlorobenzoyl)-4-methoxybenzoate (CID 67314174) is methyl 3-(4-bromo-2-chlorobenzoyl)-4-methoxybenzoate.
What is the SMILES notation for methyl 3-(4-bromo-2-chlorobenzoyl)-4-methoxybenzoate?
The canonical SMILES for methyl 3-(4-bromo-2-chlorobenzoyl)-4-methoxybenzoate is COC(=O)c1ccc(OC)c(C(=O)c2ccc(Br)cc2Cl)c1.
What is the InChIKey of methyl 3-(4-bromo-2-chlorobenzoyl)-4-methoxybenzoate?
The InChIKey is GNMYLFJZODXSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClO4/c1-21-14-6-3-9(16(20)22-2)7-12(14)15(19)11-5-4-10(17)8-13(11)18/h3-8H,1-2H3.
What are the key properties of methyl 3-(4-bromo-2-chlorobenzoyl)-4-methoxybenzoate?
methyl 3-(4-bromo-2-chlorobenzoyl)-4-methoxybenzoate has a molecular weight of 383.63 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-bromo-2-chlorobenzoyl)-4-methoxybenzoate is sourced from PubChem (CID 67314174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).