2-[(4-chlorophenyl)methylsulfanylmethyl]-2,3-dihydro-1-benzofuran

C16H15ClOS — CID 135044647

IUPAC2-[(4-chlorophenyl)methylsulfanylmethyl]-2,3-dihydro-1-benzofuran
SMILESClc1ccc(CSCC2Cc3ccccc3O2)cc1
InChIInChI=1S/C16H15ClOS/c17-14-7-5-12(6-8-14)10-19-11-15-9-13-3-1-2-4-16(13)18-15/h1-8,15H,9-11H2
InChIKeyZQASSTYBRYVEGK-UHFFFAOYSA-N
MW290.81 g/mol
LogP4.58
Rot. Bonds4

About 2-[(4-chlorophenyl)methylsulfanylmethyl]-2,3-dihydro-1-benzofuran

2-[(4-chlorophenyl)methylsulfanylmethyl]-2,3-dihydro-1-benzofuran (PubChem CID 135044647) has the molecular formula C16H15ClOS and a molecular weight of 290.81 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfanylmethyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfanylmethyl]-2,3-dihydro-1-benzofuran
PubChem CID135044647
Molecular FormulaC16H15ClOS
Molecular Weight290.81 g/mol
Exact Mass290.05
IUPAC Name2-[(4-chlorophenyl)methylsulfanylmethyl]-2,3-dihydro-1-benzofuran
SMILESClc1ccc(CSCC2Cc3ccccc3O2)cc1
InChIInChI=1S/C16H15ClOS/c17-14-7-5-12(6-8-14)10-19-11-15-9-13-3-1-2-4-16(13)18-15/h1-8,15H,9-11H2
InChIKeyZQASSTYBRYVEGK-UHFFFAOYSA-N
XLogP4.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.81
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(4-chlorophenyl)methylsulfanylmethyl]-2,3-dihydro-1-benzofuran with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfanylmethyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfanylmethyl]-2,3-dihydro-1-benzofuran (CID 135044647) is 2-[(4-chlorophenyl)methylsulfanylmethyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfanylmethyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfanylmethyl]-2,3-dihydro-1-benzofuran is Clc1ccc(CSCC2Cc3ccccc3O2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfanylmethyl]-2,3-dihydro-1-benzofuran?
The InChIKey is ZQASSTYBRYVEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClOS/c17-14-7-5-12(6-8-14)10-19-11-15-9-13-3-1-2-4-16(13)18-15/h1-8,15H,9-11H2.
What are the key properties of 2-[(4-chlorophenyl)methylsulfanylmethyl]-2,3-dihydro-1-benzofuran?
2-[(4-chlorophenyl)methylsulfanylmethyl]-2,3-dihydro-1-benzofuran has a molecular weight of 290.81 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfanylmethyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 135044647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).