5-chloro-7-[chloro(thieno[3,2-b]thiophen-5-yl)methyl]-2,3-dihydro-1-benzofuran

C15H10Cl2OS2 — CID 104543726

IUPAC5-chloro-7-[chloro(thieno[3,2-b]thiophen-5-yl)methyl]-2,3-dihydro-1-benzofuran
SMILESClc1cc2c(c(C(Cl)c3cc4sccc4s3)c1)OCC2
InChIInChI=1S/C15H10Cl2OS2/c16-9-5-8-1-3-18-15(8)10(6-9)14(17)13-7-12-11(20-13)2-4-19-12/h2,4-7,14H,1,3H2
InChIKeyZGJKDARXKPSTFB-UHFFFAOYSA-N
MW341.28 g/mol
LogP5.88
Rot. Bonds2

About 5-chloro-7-[chloro(thieno[3,2-b]thiophen-5-yl)methyl]-2,3-dihydro-1-benzofuran

5-chloro-7-[chloro(thieno[3,2-b]thiophen-5-yl)methyl]-2,3-dihydro-1-benzofuran (PubChem CID 104543726) has the molecular formula C15H10Cl2OS2 and a molecular weight of 341.28 g/mol. Its IUPAC name is 5-chloro-7-[chloro(thieno[3,2-b]thiophen-5-yl)methyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-chloro-7-[chloro(thieno[3,2-b]thiophen-5-yl)methyl]-2,3-dihydro-1-benzofuran
PubChem CID104543726
Molecular FormulaC15H10Cl2OS2
Molecular Weight341.28 g/mol
Exact Mass339.96
IUPAC Name5-chloro-7-[chloro(thieno[3,2-b]thiophen-5-yl)methyl]-2,3-dihydro-1-benzofuran
SMILESClc1cc2c(c(C(Cl)c3cc4sccc4s3)c1)OCC2
InChIInChI=1S/C15H10Cl2OS2/c16-9-5-8-1-3-18-15(8)10(6-9)14(17)13-7-12-11(20-13)2-4-19-12/h2,4-7,14H,1,3H2
InChIKeyZGJKDARXKPSTFB-UHFFFAOYSA-N
XLogP5.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.28
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-7-[chloro(thieno[3,2-b]thiophen-5-yl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 80738912
5-chloro-7-[chloro-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543764
7-[bromo(thiophen-2-yl)methyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 104544052
5-chloro-7-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543754
7-[(2-bromo-4-chlorophenyl)-chloromethyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 107992197
5-chloro-7-[chloro-(3-iodophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543876
5-chloro-7-[chloro-(2-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543711
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
CID 104545410
chloro(thieno[3,2-b]thiophen-5-yl)methanol
CID 123645090
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(5-chlorofuran-2-yl)methanol
CID 106688939
7-[bromo(thiophen-3-yl)methyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 104544018
5-bromo-7-[(5-bromo-4-methylthiophen-2-yl)-chloromethyl]-2,3-dihydro-1-benzofuran
CID 104543341

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-[chloro(thieno[3,2-b]thiophen-5-yl)methyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-chloro-7-[chloro(thieno[3,2-b]thiophen-5-yl)methyl]-2,3-dihydro-1-benzofuran (CID 104543726) is 5-chloro-7-[chloro(thieno[3,2-b]thiophen-5-yl)methyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-chloro-7-[chloro(thieno[3,2-b]thiophen-5-yl)methyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-chloro-7-[chloro(thieno[3,2-b]thiophen-5-yl)methyl]-2,3-dihydro-1-benzofuran is Clc1cc2c(c(C(Cl)c3cc4sccc4s3)c1)OCC2.
What is the InChIKey of 5-chloro-7-[chloro(thieno[3,2-b]thiophen-5-yl)methyl]-2,3-dihydro-1-benzofuran?
The InChIKey is ZGJKDARXKPSTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2OS2/c16-9-5-8-1-3-18-15(8)10(6-9)14(17)13-7-12-11(20-13)2-4-19-12/h2,4-7,14H,1,3H2.
What are the key properties of 5-chloro-7-[chloro(thieno[3,2-b]thiophen-5-yl)methyl]-2,3-dihydro-1-benzofuran?
5-chloro-7-[chloro(thieno[3,2-b]thiophen-5-yl)methyl]-2,3-dihydro-1-benzofuran has a molecular weight of 341.28 g/mol, XLogP of 5.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-[chloro(thieno[3,2-b]thiophen-5-yl)methyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 104543726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).