2-(4-chlorophenyl)sulfanyl-4-methylphenol

C13H11ClOS — CID 21411344

IUPAC2-(4-chlorophenyl)sulfanyl-4-methylphenol
SMILESCc1ccc(O)c(Sc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H11ClOS/c1-9-2-7-12(15)13(8-9)16-11-5-3-10(14)4-6-11/h2-8,15H,1H3
InChIKeyXBXYHVMBHOFEED-UHFFFAOYSA-N
MW250.75 g/mol
LogP4.51
Rot. Bonds2

About 2-(4-chlorophenyl)sulfanyl-4-methylphenol

2-(4-chlorophenyl)sulfanyl-4-methylphenol (PubChem CID 21411344) has the molecular formula C13H11ClOS and a molecular weight of 250.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-4-methylphenol.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-4-methylphenol
PubChem CID21411344
Molecular FormulaC13H11ClOS
Molecular Weight250.75 g/mol
Exact Mass250.02
IUPAC Name2-(4-chlorophenyl)sulfanyl-4-methylphenol
SMILESCc1ccc(O)c(Sc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H11ClOS/c1-9-2-7-12(15)13(8-9)16-11-5-3-10(14)4-6-11/h2-8,15H,1H3
InChIKeyXBXYHVMBHOFEED-UHFFFAOYSA-N
XLogP4.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.75
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-(4-chlorophenyl)sulfanylphenol
CID 21430256
4-ethyl-2-(4-methylphenyl)sulfanylphenol
CID 22763953
2-fluoro-4-(4-methylphenyl)sulfanylphenol
CID 23543387
4-chloro-1-(4-chlorophenyl)sulfanyl-2-methylbenzene
CID 14223180
1-(4-chlorophenyl)sulfanyl-2,4,5-trimethylbenzene
CID 22947184
1-(4-chlorophenyl)sulfanyl-4-methyl-2-nitrobenzene
CID 91875621
4-chloro-2-methylsulfanylphenol
CID 13199339
4-(2-chloro-4-methylphenyl)sulfanyl-2-methoxyphenol
CID 143476440
2-[2-(2-hydroxy-5-methylphenyl)sulfanylpropan-2-ylsulfanyl]-4-methylphenol
CID 5099768
1,3-dichloro-2-(4-chlorophenyl)sulfanyl-5-methylbenzene
CID 20641469
2-[[2-hydroxy-3-(2-hydroxy-5-methylphenyl)sulfanyl-5-methylphenyl]methyl]-6-(2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol
CID 14899408
2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 66143398

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-4-methylphenol?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-4-methylphenol (CID 21411344) is 2-(4-chlorophenyl)sulfanyl-4-methylphenol.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-4-methylphenol?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-4-methylphenol is Cc1ccc(O)c(Sc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-4-methylphenol?
The InChIKey is XBXYHVMBHOFEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClOS/c1-9-2-7-12(15)13(8-9)16-11-5-3-10(14)4-6-11/h2-8,15H,1H3.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-4-methylphenol?
2-(4-chlorophenyl)sulfanyl-4-methylphenol has a molecular weight of 250.75 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-4-methylphenol is sourced from PubChem (CID 21411344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).