4-chloro-2-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethyl]-6-(1-hydroxyethyl)phenol

C22H20Cl2O2S — CID 58192601

IUPAC4-chloro-2-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethyl]-6-(1-hydroxyethyl)phenol
SMILESCC(O)c1cc(Cl)cc(CCc2ccccc2Sc2ccc(Cl)cc2)c1O
InChIInChI=1S/C22H20Cl2O2S/c1-14(25)20-13-18(24)12-16(22(20)26)7-6-15-4-2-3-5-21(15)27-19-10-8-17(23)9-11-19/h2-5,8-14,25-26H,6-7H2,1H3
InChIKeyCMYZJMAZOSRICF-UHFFFAOYSA-N
MW419.37 g/mol
LogP6.69
Rot. Bonds6

About 4-chloro-2-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethyl]-6-(1-hydroxyethyl)phenol

4-chloro-2-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethyl]-6-(1-hydroxyethyl)phenol (PubChem CID 58192601) has the molecular formula C22H20Cl2O2S and a molecular weight of 419.37 g/mol. Its IUPAC name is 4-chloro-2-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethyl]-6-(1-hydroxyethyl)phenol.

Molecular Properties

Compound Name4-chloro-2-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethyl]-6-(1-hydroxyethyl)phenol
PubChem CID58192601
Molecular FormulaC22H20Cl2O2S
Molecular Weight419.37 g/mol
Exact Mass418.06
IUPAC Name4-chloro-2-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethyl]-6-(1-hydroxyethyl)phenol
SMILESCC(O)c1cc(Cl)cc(CCc2ccccc2Sc2ccc(Cl)cc2)c1O
InChIInChI=1S/C22H20Cl2O2S/c1-14(25)20-13-18(24)12-16(22(20)26)7-6-15-4-2-3-5-21(15)27-19-10-8-17(23)9-11-19/h2-5,8-14,25-26H,6-7H2,1H3
InChIKeyCMYZJMAZOSRICF-UHFFFAOYSA-N
XLogP6.69
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.37
LogP ≤ 56.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-(1-hydroxyethyl)-4-[(2-phenylsulfanylphenyl)methylamino]phenol
CID 69014353
1-chloro-4-[2-[(4-chlorophenyl)sulfanylmethyl]phenyl]sulfanylbenzene
CID 2765524
4-chloro-2,6-bis(1-hydroxyethyl)phenol
CID 21162833
(1R)-1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]ethanol
CID 78952064
(1S,2R)-1-amino-1-[2-(4-chlorophenyl)sulfanylphenyl]-3-methylbutan-2-ol
CID 171271330
methyl 2-[[2-(4-chlorophenyl)sulfanylphenyl]methylsulfanyl]benzoate
CID 2765521
1-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]ethanol
CID 114792411
(1S)-1-[2-(3,4-difluorophenyl)sulfanylphenyl]ethanol
CID 78951586
1-[2-(3,4-difluorophenyl)sulfanylphenyl]ethanol
CID 55238714
(1S,2R)-1-amino-1-[2-(4-chlorophenyl)sulfanylphenyl]-3-methylpentan-2-ol;hydrochloride
CID 171271337
3-[2-(4-chlorophenyl)sulfanylphenyl]-N-(6-hydroxy-6-methylheptan-2-yl)propanamide
CID 10319938
4-bromo-2-[[2-(4-chlorophenyl)sulfanylphenyl]methylamino]-6-fluorophenol
CID 58828939

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethyl]-6-(1-hydroxyethyl)phenol?
The IUPAC name of 4-chloro-2-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethyl]-6-(1-hydroxyethyl)phenol (CID 58192601) is 4-chloro-2-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethyl]-6-(1-hydroxyethyl)phenol.
What is the SMILES notation for 4-chloro-2-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethyl]-6-(1-hydroxyethyl)phenol?
The canonical SMILES for 4-chloro-2-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethyl]-6-(1-hydroxyethyl)phenol is CC(O)c1cc(Cl)cc(CCc2ccccc2Sc2ccc(Cl)cc2)c1O.
What is the InChIKey of 4-chloro-2-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethyl]-6-(1-hydroxyethyl)phenol?
The InChIKey is CMYZJMAZOSRICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2O2S/c1-14(25)20-13-18(24)12-16(22(20)26)7-6-15-4-2-3-5-21(15)27-19-10-8-17(23)9-11-19/h2-5,8-14,25-26H,6-7H2,1H3.
What are the key properties of 4-chloro-2-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethyl]-6-(1-hydroxyethyl)phenol?
4-chloro-2-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethyl]-6-(1-hydroxyethyl)phenol has a molecular weight of 419.37 g/mol, XLogP of 6.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethyl]-6-(1-hydroxyethyl)phenol is sourced from PubChem (CID 58192601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).