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

C15H13ClOS — CID 135035619

IUPAC2-[(4-chlorophenyl)sulfanylmethyl]-2,3-dihydro-1-benzofuran
SMILESClc1ccc(SCC2Cc3ccccc3O2)cc1
InChIInChI=1S/C15H13ClOS/c16-12-5-7-14(8-6-12)18-10-13-9-11-3-1-2-4-15(11)17-13/h1-8,13H,9-10H2
InChIKeyZRZHSTIDGVTJNH-UHFFFAOYSA-N
MW276.79 g/mol
LogP4.44
Rot. Bonds3

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

2-[(4-chlorophenyl)sulfanylmethyl]-2,3-dihydro-1-benzofuran (PubChem CID 135035619) has the molecular formula C15H13ClOS and a molecular weight of 276.79 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfanylmethyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfanylmethyl]-2,3-dihydro-1-benzofuran
PubChem CID135035619
Molecular FormulaC15H13ClOS
Molecular Weight276.79 g/mol
Exact Mass276.04
IUPAC Name2-[(4-chlorophenyl)sulfanylmethyl]-2,3-dihydro-1-benzofuran
SMILESClc1ccc(SCC2Cc3ccccc3O2)cc1
InChIInChI=1S/C15H13ClOS/c16-12-5-7-14(8-6-12)18-10-13-9-11-3-1-2-4-15(11)17-13/h1-8,13H,9-10H2
InChIKeyZRZHSTIDGVTJNH-UHFFFAOYSA-N
XLogP4.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfanylmethyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-[(4-chlorophenyl)sulfanylmethyl]-2,3-dihydro-1-benzofuran (CID 135035619) is 2-[(4-chlorophenyl)sulfanylmethyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfanylmethyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-[(4-chlorophenyl)sulfanylmethyl]-2,3-dihydro-1-benzofuran is Clc1ccc(SCC2Cc3ccccc3O2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfanylmethyl]-2,3-dihydro-1-benzofuran?
The InChIKey is ZRZHSTIDGVTJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClOS/c16-12-5-7-14(8-6-12)18-10-13-9-11-3-1-2-4-15(11)17-13/h1-8,13H,9-10H2.
What are the key properties of 2-[(4-chlorophenyl)sulfanylmethyl]-2,3-dihydro-1-benzofuran?
2-[(4-chlorophenyl)sulfanylmethyl]-2,3-dihydro-1-benzofuran has a molecular weight of 276.79 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfanylmethyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 135035619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).