4-chloro-2-(5-chloro-2-hydroxy-3-methylphenyl)sulfanyl-6-methylphenol

C14H12Cl2O2S — CID 23461862

IUPAC4-chloro-2-(5-chloro-2-hydroxy-3-methylphenyl)sulfanyl-6-methylphenol
SMILESCc1cc(Cl)cc(Sc2cc(Cl)cc(C)c2O)c1O
InChIInChI=1S/C14H12Cl2O2S/c1-7-3-9(15)5-11(13(7)17)19-12-6-10(16)4-8(2)14(12)18/h3-6,17-18H,1-2H3
InChIKeyDFLQADJJFCUSAX-UHFFFAOYSA-N
MW315.22 g/mol
LogP5.17
Rot. Bonds2

About 4-chloro-2-(5-chloro-2-hydroxy-3-methylphenyl)sulfanyl-6-methylphenol

4-chloro-2-(5-chloro-2-hydroxy-3-methylphenyl)sulfanyl-6-methylphenol (PubChem CID 23461862) has the molecular formula C14H12Cl2O2S and a molecular weight of 315.22 g/mol. Its IUPAC name is 4-chloro-2-(5-chloro-2-hydroxy-3-methylphenyl)sulfanyl-6-methylphenol.

Molecular Properties

Compound Name4-chloro-2-(5-chloro-2-hydroxy-3-methylphenyl)sulfanyl-6-methylphenol
PubChem CID23461862
Molecular FormulaC14H12Cl2O2S
Molecular Weight315.22 g/mol
Exact Mass313.99
IUPAC Name4-chloro-2-(5-chloro-2-hydroxy-3-methylphenyl)sulfanyl-6-methylphenol
SMILESCc1cc(Cl)cc(Sc2cc(Cl)cc(C)c2O)c1O
InChIInChI=1S/C14H12Cl2O2S/c1-7-3-9(15)5-11(13(7)17)19-12-6-10(16)4-8(2)14(12)18/h3-6,17-18H,1-2H3
InChIKeyDFLQADJJFCUSAX-UHFFFAOYSA-N
XLogP5.17
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.22
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(5-chloro-2-hydroxy-3-methylphenyl)sulfanyl-6-methylphenol?
The IUPAC name of 4-chloro-2-(5-chloro-2-hydroxy-3-methylphenyl)sulfanyl-6-methylphenol (CID 23461862) is 4-chloro-2-(5-chloro-2-hydroxy-3-methylphenyl)sulfanyl-6-methylphenol.
What is the SMILES notation for 4-chloro-2-(5-chloro-2-hydroxy-3-methylphenyl)sulfanyl-6-methylphenol?
The canonical SMILES for 4-chloro-2-(5-chloro-2-hydroxy-3-methylphenyl)sulfanyl-6-methylphenol is Cc1cc(Cl)cc(Sc2cc(Cl)cc(C)c2O)c1O.
What is the InChIKey of 4-chloro-2-(5-chloro-2-hydroxy-3-methylphenyl)sulfanyl-6-methylphenol?
The InChIKey is DFLQADJJFCUSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2O2S/c1-7-3-9(15)5-11(13(7)17)19-12-6-10(16)4-8(2)14(12)18/h3-6,17-18H,1-2H3.
What are the key properties of 4-chloro-2-(5-chloro-2-hydroxy-3-methylphenyl)sulfanyl-6-methylphenol?
4-chloro-2-(5-chloro-2-hydroxy-3-methylphenyl)sulfanyl-6-methylphenol has a molecular weight of 315.22 g/mol, XLogP of 5.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(5-chloro-2-hydroxy-3-methylphenyl)sulfanyl-6-methylphenol is sourced from PubChem (CID 23461862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).