2-chloro-4-[chloro-bis(3-chloro-5-ethyl-4-hydroxyphenyl)-λ4-sulfanyl]-6-ethylphenol

C24H24Cl4O3S — CID 134935860

IUPAC2-chloro-4-[chloro-bis(3-chloro-5-ethyl-4-hydroxyphenyl)-λ4-sulfanyl]-6-ethylphenol
SMILESCCc1cc(S(Cl)(c2cc(Cl)c(O)c(CC)c2)c2cc(Cl)c(O)c(CC)c2)cc(Cl)c1O
InChIInChI=1S/C24H24Cl4O3S/c1-4-13-7-16(10-19(25)22(13)29)32(28,17-8-14(5-2)23(30)20(26)11-17)18-9-15(6-3)24(31)21(27)12-18/h7-12,29-31H,4-6H2,1-3H3
InChIKeyJMZOALDYRLIUGY-UHFFFAOYSA-N
MW534.33 g/mol
LogP8.89
Rot. Bonds6

About 2-chloro-4-[chloro-bis(3-chloro-5-ethyl-4-hydroxyphenyl)-λ4-sulfanyl]-6-ethylphenol

2-chloro-4-[chloro-bis(3-chloro-5-ethyl-4-hydroxyphenyl)-λ4-sulfanyl]-6-ethylphenol (PubChem CID 134935860) has the molecular formula C24H24Cl4O3S and a molecular weight of 534.33 g/mol. Its IUPAC name is 2-chloro-4-[chloro-bis(3-chloro-5-ethyl-4-hydroxyphenyl)-λ4-sulfanyl]-6-ethylphenol.

Molecular Properties

Compound Name2-chloro-4-[chloro-bis(3-chloro-5-ethyl-4-hydroxyphenyl)-λ4-sulfanyl]-6-ethylphenol
PubChem CID134935860
Molecular FormulaC24H24Cl4O3S
Molecular Weight534.33 g/mol
Exact Mass532.02
IUPAC Name2-chloro-4-[chloro-bis(3-chloro-5-ethyl-4-hydroxyphenyl)-λ4-sulfanyl]-6-ethylphenol
SMILESCCc1cc(S(Cl)(c2cc(Cl)c(O)c(CC)c2)c2cc(Cl)c(O)c(CC)c2)cc(Cl)c1O
InChIInChI=1S/C24H24Cl4O3S/c1-4-13-7-16(10-19(25)22(13)29)32(28,17-8-14(5-2)23(30)20(26)11-17)18-9-15(6-3)24(31)21(27)12-18/h7-12,29-31H,4-6H2,1-3H3
InChIKeyJMZOALDYRLIUGY-UHFFFAOYSA-N
XLogP8.89
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.33
LogP ≤ 58.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Phenol, 2,2'-thiobis(6-tert-butyl-4-chloro-
CID 201451
2,2'-Sulfanediylbis(4-chloro-6-methylphenol)
CID 23461862
2,2'-Thiobis[6-chloro-4-ethylphenol]
CID 53470651
2,2'-Thiobis(6-chloro-p-cresol)
CID 56843991
Tris(3-chloro-5-ethyl-4-hydroxyphenyl)sulfanium chloride
CID 160807824
2-Chloro-4-methylsulfanyl-6-(trifluoromethyl)phenol
CID 162551664
2-Chloro-4-(4-octadecylphenyl)sulfanylphenol
CID 19594398
2-Chloro-6-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)phenol
CID 20235327
4-Butyl-2-(5-butyl-3-chloro-2-hydroxyphenyl)sulfonyl-6-chlorophenol
CID 22151274
4-(3-Chloro-4-hydroxyphenyl)sulfonyl-2-propan-2-ylphenol
CID 22257539
Dibenzyl-(3-chloro-4-hydroxyphenyl)sulfanium
CID 22988987
2-Tert-butyl-4-(3-tert-butyl-5-chloro-4-hydroxyphenyl)sulfanyl-6-chlorophenol
CID 54138271

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[chloro-bis(3-chloro-5-ethyl-4-hydroxyphenyl)-λ4-sulfanyl]-6-ethylphenol?
The IUPAC name of 2-chloro-4-[chloro-bis(3-chloro-5-ethyl-4-hydroxyphenyl)-λ4-sulfanyl]-6-ethylphenol (CID 134935860) is 2-chloro-4-[chloro-bis(3-chloro-5-ethyl-4-hydroxyphenyl)-λ4-sulfanyl]-6-ethylphenol.
What is the SMILES notation for 2-chloro-4-[chloro-bis(3-chloro-5-ethyl-4-hydroxyphenyl)-λ4-sulfanyl]-6-ethylphenol?
The canonical SMILES for 2-chloro-4-[chloro-bis(3-chloro-5-ethyl-4-hydroxyphenyl)-λ4-sulfanyl]-6-ethylphenol is CCc1cc(S(Cl)(c2cc(Cl)c(O)c(CC)c2)c2cc(Cl)c(O)c(CC)c2)cc(Cl)c1O.
What is the InChIKey of 2-chloro-4-[chloro-bis(3-chloro-5-ethyl-4-hydroxyphenyl)-λ4-sulfanyl]-6-ethylphenol?
The InChIKey is JMZOALDYRLIUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl4O3S/c1-4-13-7-16(10-19(25)22(13)29)32(28,17-8-14(5-2)23(30)20(26)11-17)18-9-15(6-3)24(31)21(27)12-18/h7-12,29-31H,4-6H2,1-3H3.
What are the key properties of 2-chloro-4-[chloro-bis(3-chloro-5-ethyl-4-hydroxyphenyl)-λ4-sulfanyl]-6-ethylphenol?
2-chloro-4-[chloro-bis(3-chloro-5-ethyl-4-hydroxyphenyl)-λ4-sulfanyl]-6-ethylphenol has a molecular weight of 534.33 g/mol, XLogP of 8.89, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[chloro-bis(3-chloro-5-ethyl-4-hydroxyphenyl)-λ4-sulfanyl]-6-ethylphenol is sourced from PubChem (CID 134935860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).