2-chloro-6-(3-chloro-5-ethyl-2-hydroxyphenyl)sulfanyl-4-ethylphenol

C16H16Cl2O2S — CID 53470651

IUPAC2-chloro-6-(3-chloro-5-ethyl-2-hydroxyphenyl)sulfanyl-4-ethylphenol
SMILESCCc1cc(Cl)c(O)c(Sc2cc(CC)cc(Cl)c2O)c1
InChIInChI=1S/C16H16Cl2O2S/c1-3-9-5-11(17)15(19)13(7-9)21-14-8-10(4-2)6-12(18)16(14)20/h5-8,19-20H,3-4H2,1-2H3
InChIKeyDWORIKGYRYABBW-UHFFFAOYSA-N
MW343.28 g/mol
LogP5.68
Rot. Bonds4

About 2-chloro-6-(3-chloro-5-ethyl-2-hydroxyphenyl)sulfanyl-4-ethylphenol

2-chloro-6-(3-chloro-5-ethyl-2-hydroxyphenyl)sulfanyl-4-ethylphenol (PubChem CID 53470651) has the molecular formula C16H16Cl2O2S and a molecular weight of 343.28 g/mol. Its IUPAC name is 2-chloro-6-(3-chloro-5-ethyl-2-hydroxyphenyl)sulfanyl-4-ethylphenol.

Molecular Properties

Compound Name2-chloro-6-(3-chloro-5-ethyl-2-hydroxyphenyl)sulfanyl-4-ethylphenol
PubChem CID53470651
Molecular FormulaC16H16Cl2O2S
Molecular Weight343.28 g/mol
Exact Mass342.02
IUPAC Name2-chloro-6-(3-chloro-5-ethyl-2-hydroxyphenyl)sulfanyl-4-ethylphenol
SMILESCCc1cc(Cl)c(O)c(Sc2cc(CC)cc(Cl)c2O)c1
InChIInChI=1S/C16H16Cl2O2S/c1-3-9-5-11(17)15(19)13(7-9)21-14-8-10(4-2)6-12(18)16(14)20/h5-8,19-20H,3-4H2,1-2H3
InChIKeyDWORIKGYRYABBW-UHFFFAOYSA-N
XLogP5.68
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.28
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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-p-cresol)
CID 56843991
Chlorohydroxyphenylsulfide
CID 67872324
2-Chloro-4-[chloro-bis(3-chloro-5-ethyl-4-hydroxyphenyl)-lambda4-sulfanyl]-6-ethylphenol
CID 134935860
Tris(3-chloro-5-ethyl-4-hydroxyphenyl)sulfanium chloride
CID 160807824
2-Chloro-4-(4-octadecylphenyl)sulfanylphenol
CID 19594398
2-(4-Chlorophenyl)sulfanyl-4-methylphenol
CID 21411344
4-Butyl-2-(5-butyl-3-chloro-2-hydroxyphenyl)sulfonyl-6-chlorophenol
CID 22151274
4-Tert-butyl-2-(3-chloro-4-hydroxyphenyl)sulfonylphenol
CID 22257544

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3-chloro-5-ethyl-2-hydroxyphenyl)sulfanyl-4-ethylphenol?
The IUPAC name of 2-chloro-6-(3-chloro-5-ethyl-2-hydroxyphenyl)sulfanyl-4-ethylphenol (CID 53470651) is 2-chloro-6-(3-chloro-5-ethyl-2-hydroxyphenyl)sulfanyl-4-ethylphenol.
What is the SMILES notation for 2-chloro-6-(3-chloro-5-ethyl-2-hydroxyphenyl)sulfanyl-4-ethylphenol?
The canonical SMILES for 2-chloro-6-(3-chloro-5-ethyl-2-hydroxyphenyl)sulfanyl-4-ethylphenol is CCc1cc(Cl)c(O)c(Sc2cc(CC)cc(Cl)c2O)c1.
What is the InChIKey of 2-chloro-6-(3-chloro-5-ethyl-2-hydroxyphenyl)sulfanyl-4-ethylphenol?
The InChIKey is DWORIKGYRYABBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O2S/c1-3-9-5-11(17)15(19)13(7-9)21-14-8-10(4-2)6-12(18)16(14)20/h5-8,19-20H,3-4H2,1-2H3.
What are the key properties of 2-chloro-6-(3-chloro-5-ethyl-2-hydroxyphenyl)sulfanyl-4-ethylphenol?
2-chloro-6-(3-chloro-5-ethyl-2-hydroxyphenyl)sulfanyl-4-ethylphenol has a molecular weight of 343.28 g/mol, XLogP of 5.68, 4 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-5-ethyl-2-hydroxyphenyl)sulfanyl-4-ethylphenol is sourced from PubChem (CID 53470651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).