2-benzhydrylsulfanyl-4-chlorophenol

C19H15ClOS — CID 139616974

IUPAC2-benzhydrylsulfanyl-4-chlorophenol
SMILESOc1ccc(Cl)cc1SC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H15ClOS/c20-16-11-12-17(21)18(13-16)22-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19,21H
InChIKeyYXWDMEURFHYFCI-UHFFFAOYSA-N
MW326.85 g/mol
LogP5.93
Rot. Bonds4

About 2-benzhydrylsulfanyl-4-chlorophenol

2-benzhydrylsulfanyl-4-chlorophenol (PubChem CID 139616974) has the molecular formula C19H15ClOS and a molecular weight of 326.85 g/mol. Its IUPAC name is 2-benzhydrylsulfanyl-4-chlorophenol.

Molecular Properties

Compound Name2-benzhydrylsulfanyl-4-chlorophenol
PubChem CID139616974
Molecular FormulaC19H15ClOS
Molecular Weight326.85 g/mol
Exact Mass326.05
IUPAC Name2-benzhydrylsulfanyl-4-chlorophenol
SMILESOc1ccc(Cl)cc1SC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H15ClOS/c20-16-11-12-17(21)18(13-16)22-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19,21H
InChIKeyYXWDMEURFHYFCI-UHFFFAOYSA-N
XLogP5.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.85
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzhydrylsulfanyl-4-chlorophenol?
The IUPAC name of 2-benzhydrylsulfanyl-4-chlorophenol (CID 139616974) is 2-benzhydrylsulfanyl-4-chlorophenol.
What is the SMILES notation for 2-benzhydrylsulfanyl-4-chlorophenol?
The canonical SMILES for 2-benzhydrylsulfanyl-4-chlorophenol is Oc1ccc(Cl)cc1SC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzhydrylsulfanyl-4-chlorophenol?
The InChIKey is YXWDMEURFHYFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClOS/c20-16-11-12-17(21)18(13-16)22-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19,21H.
What are the key properties of 2-benzhydrylsulfanyl-4-chlorophenol?
2-benzhydrylsulfanyl-4-chlorophenol has a molecular weight of 326.85 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydrylsulfanyl-4-chlorophenol is sourced from PubChem (CID 139616974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).