methyl 5-chloro-2-(2,4-dichlorophenyl)-1-benzofuran-7-carboxylate

C16H9Cl3O3 — CID 59225569

IUPACmethyl 5-chloro-2-(2,4-dichlorophenyl)-1-benzofuran-7-carboxylate
SMILESCOC(=O)c1cc(Cl)cc2cc(-c3ccc(Cl)cc3Cl)oc12
InChIInChI=1S/C16H9Cl3O3/c1-21-16(20)12-6-10(18)4-8-5-14(22-15(8)12)11-3-2-9(17)7-13(11)19/h2-7H,1H3
InChIKeyNFBUXODYXBBJQH-UHFFFAOYSA-N
MW355.60 g/mol
LogP5.85
Rot. Bonds2

About methyl 5-chloro-2-(2,4-dichlorophenyl)-1-benzofuran-7-carboxylate

methyl 5-chloro-2-(2,4-dichlorophenyl)-1-benzofuran-7-carboxylate (PubChem CID 59225569) has the molecular formula C16H9Cl3O3 and a molecular weight of 355.60 g/mol. Its IUPAC name is methyl 5-chloro-2-(2,4-dichlorophenyl)-1-benzofuran-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-2-(2,4-dichlorophenyl)-1-benzofuran-7-carboxylate
PubChem CID59225569
Molecular FormulaC16H9Cl3O3
Molecular Weight355.60 g/mol
Exact Mass353.96
IUPAC Namemethyl 5-chloro-2-(2,4-dichlorophenyl)-1-benzofuran-7-carboxylate
SMILESCOC(=O)c1cc(Cl)cc2cc(-c3ccc(Cl)cc3Cl)oc12
InChIInChI=1S/C16H9Cl3O3/c1-21-16(20)12-6-10(18)4-8-5-14(22-15(8)12)11-3-2-9(17)7-13(11)19/h2-7H,1H3
InChIKeyNFBUXODYXBBJQH-UHFFFAOYSA-N
XLogP5.85
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.60
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 5-chloro-2-(2,4-dichlorophenyl)-1-benzofuran-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-chloro-2-methyl-1-benzofuran-7-carboxylate
CID 15832151
methyl 6-chloro-2-(2,4-dichlorophenyl)thieno[3,2-b]furan-5-carboxylate
CID 132590869
methyl 2-[(1S)-1-aminoethyl]-5-chloro-1-benzofuran-7-carboxylate
CID 164866482
methyl 6,8-dichloro-2-oxochromene-3-carboxylate
CID 75527754
methyl 3,5-dichloro-2-(2,4-dichloro-6-methoxycarbonylphenyl)benzoate
CID 2818076
methyl 5-chloro-2-trimethylsilylbenzoate
CID 175229635
methyl 5-(2,4-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 133093032
methyl 5-(2,4-dichlorophenyl)-2-fluoropyridine-4-carboxylate
CID 133090457
4-chloro-2-methoxycarbonylbenzoic acid
CID 58541939
methyl 5-chloro-2-isocyanobenzoate
CID 2769510
methyl 2-(2,4-dichlorophenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate
CID 114371700
dimethyl 2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]propanedioate
CID 24780934

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-(2,4-dichlorophenyl)-1-benzofuran-7-carboxylate?
The IUPAC name of methyl 5-chloro-2-(2,4-dichlorophenyl)-1-benzofuran-7-carboxylate (CID 59225569) is methyl 5-chloro-2-(2,4-dichlorophenyl)-1-benzofuran-7-carboxylate.
What is the SMILES notation for methyl 5-chloro-2-(2,4-dichlorophenyl)-1-benzofuran-7-carboxylate?
The canonical SMILES for methyl 5-chloro-2-(2,4-dichlorophenyl)-1-benzofuran-7-carboxylate is COC(=O)c1cc(Cl)cc2cc(-c3ccc(Cl)cc3Cl)oc12.
What is the InChIKey of methyl 5-chloro-2-(2,4-dichlorophenyl)-1-benzofuran-7-carboxylate?
The InChIKey is NFBUXODYXBBJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl3O3/c1-21-16(20)12-6-10(18)4-8-5-14(22-15(8)12)11-3-2-9(17)7-13(11)19/h2-7H,1H3.
What are the key properties of methyl 5-chloro-2-(2,4-dichlorophenyl)-1-benzofuran-7-carboxylate?
methyl 5-chloro-2-(2,4-dichlorophenyl)-1-benzofuran-7-carboxylate has a molecular weight of 355.60 g/mol, XLogP of 5.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-(2,4-dichlorophenyl)-1-benzofuran-7-carboxylate is sourced from PubChem (CID 59225569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).