4-chloro-2-[(5-chloro-2-methoxyphenyl)disulfanyl]phenol

C13H10Cl2O2S2 — CID 144977833

IUPAC4-chloro-2-[(5-chloro-2-methoxyphenyl)disulfanyl]phenol
SMILESCOc1ccc(Cl)cc1SSc1cc(Cl)ccc1O
InChIInChI=1S/C13H10Cl2O2S2/c1-17-11-5-3-9(15)7-13(11)19-18-12-6-8(14)2-4-10(12)16/h2-7,16H,1H3
InChIKeyOFOWZAGRJGPJOL-UHFFFAOYSA-N
MW333.26 g/mol
LogP5.51
Rot. Bonds4

About 4-chloro-2-[(5-chloro-2-methoxyphenyl)disulfanyl]phenol

4-chloro-2-[(5-chloro-2-methoxyphenyl)disulfanyl]phenol (PubChem CID 144977833) has the molecular formula C13H10Cl2O2S2 and a molecular weight of 333.26 g/mol. Its IUPAC name is 4-chloro-2-[(5-chloro-2-methoxyphenyl)disulfanyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(5-chloro-2-methoxyphenyl)disulfanyl]phenol
PubChem CID144977833
Molecular FormulaC13H10Cl2O2S2
Molecular Weight333.26 g/mol
Exact Mass331.95
IUPAC Name4-chloro-2-[(5-chloro-2-methoxyphenyl)disulfanyl]phenol
SMILESCOc1ccc(Cl)cc1SSc1cc(Cl)ccc1O
InChIInChI=1S/C13H10Cl2O2S2/c1-17-11-5-3-9(15)7-13(11)19-18-12-6-8(14)2-4-10(12)16/h2-7,16H,1H3
InChIKeyOFOWZAGRJGPJOL-UHFFFAOYSA-N
XLogP5.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.26
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-methylsulfanylphenol
CID 13199339
(5-chloro-2-methoxyphenyl)sulfanylformic acid
CID 117033458
methyl 3-(5-chloro-2-methoxyphenyl)sulfanylpropanoate
CID 117034051
2-(5-chloro-2-methoxyphenyl)sulfanyl-N-methylpropan-2-amine
CID 117033637
2-(5-chloro-2-methoxyphenyl)sulfanyl-2-methylpropan-1-amine
CID 116853484
3-(5-chloro-2-methoxyphenyl)sulfanyl-3-methylbutan-1-amine
CID 117032753
(5-chloro-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 61087442
5-chloro-2-fluoro-4-methoxyphenol
CID 84655771
2-bromo-4-chloro-1-methoxybenzene
CID 140982994
5-chloro-2-(2-methylpropoxy)phenol
CID 59319916
2-(5-chloro-2-methoxyphenyl)propane-1,3-diol
CID 82113852
(5-chloro-2-methoxyphenyl) methyl carbonate
CID 170342081

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(5-chloro-2-methoxyphenyl)disulfanyl]phenol?
The IUPAC name of 4-chloro-2-[(5-chloro-2-methoxyphenyl)disulfanyl]phenol (CID 144977833) is 4-chloro-2-[(5-chloro-2-methoxyphenyl)disulfanyl]phenol.
What is the SMILES notation for 4-chloro-2-[(5-chloro-2-methoxyphenyl)disulfanyl]phenol?
The canonical SMILES for 4-chloro-2-[(5-chloro-2-methoxyphenyl)disulfanyl]phenol is COc1ccc(Cl)cc1SSc1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-[(5-chloro-2-methoxyphenyl)disulfanyl]phenol?
The InChIKey is OFOWZAGRJGPJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2O2S2/c1-17-11-5-3-9(15)7-13(11)19-18-12-6-8(14)2-4-10(12)16/h2-7,16H,1H3.
What are the key properties of 4-chloro-2-[(5-chloro-2-methoxyphenyl)disulfanyl]phenol?
4-chloro-2-[(5-chloro-2-methoxyphenyl)disulfanyl]phenol has a molecular weight of 333.26 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(5-chloro-2-methoxyphenyl)disulfanyl]phenol is sourced from PubChem (CID 144977833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).