methyl 6-chloro-2-(2,4-dichlorophenyl)thieno[3,2-b]furan-5-carboxylate

C14H7Cl3O3S — CID 132590869

IUPACmethyl 6-chloro-2-(2,4-dichlorophenyl)thieno[3,2-b]furan-5-carboxylate
SMILESCOC(=O)c1sc2cc(-c3ccc(Cl)cc3Cl)oc2c1Cl
InChIInChI=1S/C14H7Cl3O3S/c1-19-14(18)13-11(17)12-10(21-13)5-9(20-12)7-3-2-6(15)4-8(7)16/h2-5H,1H3
InChIKeyATEJXZUOAILQID-UHFFFAOYSA-N
MW361.63 g/mol
LogP5.91
Rot. Bonds2

About methyl 6-chloro-2-(2,4-dichlorophenyl)thieno[3,2-b]furan-5-carboxylate

methyl 6-chloro-2-(2,4-dichlorophenyl)thieno[3,2-b]furan-5-carboxylate (PubChem CID 132590869) has the molecular formula C14H7Cl3O3S and a molecular weight of 361.63 g/mol. Its IUPAC name is methyl 6-chloro-2-(2,4-dichlorophenyl)thieno[3,2-b]furan-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-2-(2,4-dichlorophenyl)thieno[3,2-b]furan-5-carboxylate
PubChem CID132590869
Molecular FormulaC14H7Cl3O3S
Molecular Weight361.63 g/mol
Exact Mass359.92
IUPAC Namemethyl 6-chloro-2-(2,4-dichlorophenyl)thieno[3,2-b]furan-5-carboxylate
SMILESCOC(=O)c1sc2cc(-c3ccc(Cl)cc3Cl)oc2c1Cl
InChIInChI=1S/C14H7Cl3O3S/c1-19-14(18)13-11(17)12-10(21-13)5-9(20-12)7-3-2-6(15)4-8(7)16/h2-5H,1H3
InChIKeyATEJXZUOAILQID-UHFFFAOYSA-N
XLogP5.91
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.63
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-2-(2,4-dichlorophenyl)thieno[3,2-b]furan-5-carboxylate?
The IUPAC name of methyl 6-chloro-2-(2,4-dichlorophenyl)thieno[3,2-b]furan-5-carboxylate (CID 132590869) is methyl 6-chloro-2-(2,4-dichlorophenyl)thieno[3,2-b]furan-5-carboxylate.
What is the SMILES notation for methyl 6-chloro-2-(2,4-dichlorophenyl)thieno[3,2-b]furan-5-carboxylate?
The canonical SMILES for methyl 6-chloro-2-(2,4-dichlorophenyl)thieno[3,2-b]furan-5-carboxylate is COC(=O)c1sc2cc(-c3ccc(Cl)cc3Cl)oc2c1Cl.
What is the InChIKey of methyl 6-chloro-2-(2,4-dichlorophenyl)thieno[3,2-b]furan-5-carboxylate?
The InChIKey is ATEJXZUOAILQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl3O3S/c1-19-14(18)13-11(17)12-10(21-13)5-9(20-12)7-3-2-6(15)4-8(7)16/h2-5H,1H3.
What are the key properties of methyl 6-chloro-2-(2,4-dichlorophenyl)thieno[3,2-b]furan-5-carboxylate?
methyl 6-chloro-2-(2,4-dichlorophenyl)thieno[3,2-b]furan-5-carboxylate has a molecular weight of 361.63 g/mol, XLogP of 5.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-2-(2,4-dichlorophenyl)thieno[3,2-b]furan-5-carboxylate is sourced from PubChem (CID 132590869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).