4-benzylsulfanyl-2-chlorophenol

C13H11ClOS — CID 11615769

IUPAC4-benzylsulfanyl-2-chlorophenol
SMILESOc1ccc(SCc2ccccc2)cc1Cl
InChIInChI=1S/C13H11ClOS/c14-12-8-11(6-7-13(12)15)16-9-10-4-2-1-3-5-10/h1-8,15H,9H2
InChIKeyFJCARKSRYNNDOY-UHFFFAOYSA-N
MW250.75 g/mol
LogP4.34
Rot. Bonds3

About 4-benzylsulfanyl-2-chlorophenol

4-benzylsulfanyl-2-chlorophenol (PubChem CID 11615769) has the molecular formula C13H11ClOS and a molecular weight of 250.75 g/mol. Its IUPAC name is 4-benzylsulfanyl-2-chlorophenol.

Molecular Properties

Compound Name4-benzylsulfanyl-2-chlorophenol
PubChem CID11615769
Molecular FormulaC13H11ClOS
Molecular Weight250.75 g/mol
Exact Mass250.02
IUPAC Name4-benzylsulfanyl-2-chlorophenol
SMILESOc1ccc(SCc2ccccc2)cc1Cl
InChIInChI=1S/C13H11ClOS/c14-12-8-11(6-7-13(12)15)16-9-10-4-2-1-3-5-10/h1-8,15H,9H2
InChIKeyFJCARKSRYNNDOY-UHFFFAOYSA-N
XLogP4.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.75
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzylsulfanyl-2-chlorophenol?
The IUPAC name of 4-benzylsulfanyl-2-chlorophenol (CID 11615769) is 4-benzylsulfanyl-2-chlorophenol.
What is the SMILES notation for 4-benzylsulfanyl-2-chlorophenol?
The canonical SMILES for 4-benzylsulfanyl-2-chlorophenol is Oc1ccc(SCc2ccccc2)cc1Cl.
What is the InChIKey of 4-benzylsulfanyl-2-chlorophenol?
The InChIKey is FJCARKSRYNNDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClOS/c14-12-8-11(6-7-13(12)15)16-9-10-4-2-1-3-5-10/h1-8,15H,9H2.
What are the key properties of 4-benzylsulfanyl-2-chlorophenol?
4-benzylsulfanyl-2-chlorophenol has a molecular weight of 250.75 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylsulfanyl-2-chlorophenol is sourced from PubChem (CID 11615769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).