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

C14H12Cl2O2S — CID 56843991

IUPAC2-chloro-6-(3-chloro-2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol
SMILESCc1cc(Cl)c(O)c(Sc2cc(C)cc(Cl)c2O)c1
InChIInChI=1S/C14H12Cl2O2S/c1-7-3-9(15)13(17)11(5-7)19-12-6-8(2)4-10(16)14(12)18/h3-6,17-18H,1-2H3
InChIKeyMREHSIFYCIVVAS-UHFFFAOYSA-N
MW315.22 g/mol
LogP5.17
Rot. Bonds2

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

2-chloro-6-(3-chloro-2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol (PubChem CID 56843991) has the molecular formula C14H12Cl2O2S and a molecular weight of 315.22 g/mol. Its IUPAC name is 2-chloro-6-(3-chloro-2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol.

Molecular Properties

Compound Name2-chloro-6-(3-chloro-2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol
PubChem CID56843991
Molecular FormulaC14H12Cl2O2S
Molecular Weight315.22 g/mol
Exact Mass313.99
IUPAC Name2-chloro-6-(3-chloro-2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol
SMILESCc1cc(Cl)c(O)c(Sc2cc(C)cc(Cl)c2O)c1
InChIInChI=1S/C14H12Cl2O2S/c1-7-3-9(15)13(17)11(5-7)19-12-6-8(2)4-10(16)14(12)18/h3-6,17-18H,1-2H3
InChIKeyMREHSIFYCIVVAS-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Phenol, 2,2'-thiobis(6-tert-butyl-4-chloro-
CID 201451
2-(4-Chlorophenyl)sulfanyl-4-ethylphenol
CID 13838793
2-(4-Chlorophenyl)sulfinyl-4-ethylphenol
CID 13838794
2,2'-Sulfanediylbis(4-chloro-6-methylphenol)
CID 23461862
2,2'-Thiobis[6-chloro-4-ethylphenol]
CID 53470651
Chlorohydroxyphenylsulfide
CID 67872324
2-Chloro-4-[chloro-bis(3-chloro-5-ethyl-4-hydroxyphenyl)-lambda4-sulfanyl]-6-ethylphenol
CID 134935860
5-Chloro-2-(m-tolylthio)phenol
CID 145864323
2,2'-Dioxy-3,3'-dichlorodiphenylsulfoxide
CID 155920358
Tris(3-chloro-5-ethyl-4-hydroxyphenyl)sulfanium chloride
CID 160807824
3-Chloro-2-hydroxy-5-methylbenzene-1-sulfonyl fluoride
CID 165460518
4-Benzylsulfanyl-2-chlorophenol
CID 11615769

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3-chloro-2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol?
The IUPAC name of 2-chloro-6-(3-chloro-2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol (CID 56843991) is 2-chloro-6-(3-chloro-2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol.
What is the SMILES notation for 2-chloro-6-(3-chloro-2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol?
The canonical SMILES for 2-chloro-6-(3-chloro-2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol is Cc1cc(Cl)c(O)c(Sc2cc(C)cc(Cl)c2O)c1.
What is the InChIKey of 2-chloro-6-(3-chloro-2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol?
The InChIKey is MREHSIFYCIVVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2O2S/c1-7-3-9(15)13(17)11(5-7)19-12-6-8(2)4-10(16)14(12)18/h3-6,17-18H,1-2H3.
What are the key properties of 2-chloro-6-(3-chloro-2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol?
2-chloro-6-(3-chloro-2-hydroxy-5-methylphenyl)sulfanyl-4-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 2-chloro-6-(3-chloro-2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol is sourced from PubChem (CID 56843991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).