2-[1-benzothiophen-3-yl(chloro)methyl]-5-ethylfuran

C15H13ClOS — CID 79083766

IUPAC2-[1-benzothiophen-3-yl(chloro)methyl]-5-ethylfuran
SMILESCCc1ccc(C(Cl)c2csc3ccccc23)o1
InChIInChI=1S/C15H13ClOS/c1-2-10-7-8-13(17-10)15(16)12-9-18-14-6-4-3-5-11(12)14/h3-9,15H,2H2,1H3
InChIKeyFNKVZWFFETZRPU-UHFFFAOYSA-N
MW276.79 g/mol
LogP5.38
Rot. Bonds3

About 2-[1-benzothiophen-3-yl(chloro)methyl]-5-ethylfuran

2-[1-benzothiophen-3-yl(chloro)methyl]-5-ethylfuran (PubChem CID 79083766) has the molecular formula C15H13ClOS and a molecular weight of 276.79 g/mol. Its IUPAC name is 2-[1-benzothiophen-3-yl(chloro)methyl]-5-ethylfuran.

Molecular Properties

Compound Name2-[1-benzothiophen-3-yl(chloro)methyl]-5-ethylfuran
PubChem CID79083766
Molecular FormulaC15H13ClOS
Molecular Weight276.79 g/mol
Exact Mass276.04
IUPAC Name2-[1-benzothiophen-3-yl(chloro)methyl]-5-ethylfuran
SMILESCCc1ccc(C(Cl)c2csc3ccccc23)o1
InChIInChI=1S/C15H13ClOS/c1-2-10-7-8-13(17-10)15(16)12-9-18-14-6-4-3-5-11(12)14/h3-9,15H,2H2,1H3
InChIKeyFNKVZWFFETZRPU-UHFFFAOYSA-N
XLogP5.38
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.79
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[1-benzothiophen-3-yl(chloro)methyl]-5-ethylfuran 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

3-[1-benzothiophen-3-yl(chloro)methyl]-1-benzothiophene
CID 63433274
3-[1-benzothiophen-3-yl(chloro)methyl]-2,4,5-trimethylfuran
CID 65152089
3-[1-benzothiophen-3-yl(chloro)methyl]-2-bromofuran
CID 106855502
1-benzothiophen-3-yl(chloro)methanamine
CID 116947843
3-[chloro-(3-chloro-2-methylphenyl)methyl]-1-benzothiophene
CID 107099073
(1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol
CID 94550197
N-[1-benzothiophen-3-yl-(5-chlorofuran-2-yl)methyl]propan-1-amine
CID 106684309
1-(1-benzothiophen-3-yl)-N-ethylbutan-1-amine
CID 43492291
3-[chloro-(1-methylcyclohexyl)methyl]-1-benzothiophene
CID 106828447
3-[chloro-(4-chloro-2-fluorophenyl)methyl]-1-benzothiophene
CID 55200239
3-[chloro-(2,5-dibromophenyl)methyl]-1-benzothiophene
CID 63429257
3-(dibromomethyl)-1-benzothiophene
CID 175195145

Frequently Asked Questions

What is the IUPAC name of 2-[1-benzothiophen-3-yl(chloro)methyl]-5-ethylfuran?
The IUPAC name of 2-[1-benzothiophen-3-yl(chloro)methyl]-5-ethylfuran (CID 79083766) is 2-[1-benzothiophen-3-yl(chloro)methyl]-5-ethylfuran.
What is the SMILES notation for 2-[1-benzothiophen-3-yl(chloro)methyl]-5-ethylfuran?
The canonical SMILES for 2-[1-benzothiophen-3-yl(chloro)methyl]-5-ethylfuran is CCc1ccc(C(Cl)c2csc3ccccc23)o1.
What is the InChIKey of 2-[1-benzothiophen-3-yl(chloro)methyl]-5-ethylfuran?
The InChIKey is FNKVZWFFETZRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClOS/c1-2-10-7-8-13(17-10)15(16)12-9-18-14-6-4-3-5-11(12)14/h3-9,15H,2H2,1H3.
What are the key properties of 2-[1-benzothiophen-3-yl(chloro)methyl]-5-ethylfuran?
2-[1-benzothiophen-3-yl(chloro)methyl]-5-ethylfuran has a molecular weight of 276.79 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzothiophen-3-yl(chloro)methyl]-5-ethylfuran is sourced from PubChem (CID 79083766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).