2-(2,5-dichlorophenyl)sulfanyl-1-(3,4-dihydroxyphenyl)ethanone

C14H10Cl2O3S — CID 43218405

IUPAC2-(2,5-dichlorophenyl)sulfanyl-1-(3,4-dihydroxyphenyl)ethanone
SMILESO=C(CSc1cc(Cl)ccc1Cl)c1ccc(O)c(O)c1
InChIInChI=1S/C14H10Cl2O3S/c15-9-2-3-10(16)14(6-9)20-7-13(19)8-1-4-11(17)12(18)5-8/h1-6,17-18H,7H2
InChIKeyZJHVBYBAYKNRDU-UHFFFAOYSA-N
MW329.20 g/mol
LogP4.38
Rot. Bonds4

About 2-(2,5-dichlorophenyl)sulfanyl-1-(3,4-dihydroxyphenyl)ethanone

2-(2,5-dichlorophenyl)sulfanyl-1-(3,4-dihydroxyphenyl)ethanone (PubChem CID 43218405) has the molecular formula C14H10Cl2O3S and a molecular weight of 329.20 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-1-(3,4-dihydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-1-(3,4-dihydroxyphenyl)ethanone
PubChem CID43218405
Molecular FormulaC14H10Cl2O3S
Molecular Weight329.20 g/mol
Exact Mass327.97
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-1-(3,4-dihydroxyphenyl)ethanone
SMILESO=C(CSc1cc(Cl)ccc1Cl)c1ccc(O)c(O)c1
InChIInChI=1S/C14H10Cl2O3S/c15-9-2-3-10(16)14(6-9)20-7-13(19)8-1-4-11(17)12(18)5-8/h1-6,17-18H,7H2
InChIKeyZJHVBYBAYKNRDU-UHFFFAOYSA-N
XLogP4.38
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-[[1-(2,4-dichlorophenyl)-2,3-dihydrotetrazol-2-ium-5-yl]sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone
CID 169244116
1-(5-chlorothiophen-2-yl)-2-(2,5-dichlorophenyl)sulfanylethanone
CID 43414112
2-(2,5-dichlorophenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
CID 43414058
2-(2,5-dichlorophenyl)sulfanyl-1-(2-fluorophenyl)ethanone
CID 43414111
1-(3,4-dihydroxyphenyl)-2-phenylsulfanylethanone
CID 43218398
2-(5-chloro-2-fluorophenyl)sulfanyl-1-phenylethanone
CID 54255060
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone
CID 7907080
[2-(3,4-dihydroxyphenyl)-2-oxoethyl]azanium
CID 168916285
2-(4-chlorophenyl)-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]acetohydrazide
CID 7969708
1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)sulfanylethanone
CID 79700591
2-(2-chlorophenyl)sulfanyl-1-(3-fluoro-4-methylphenyl)ethanone
CID 107128341
2-(2,5-dichlorophenyl)sulfanylethyl 4-hydroxybenzoate
CID 7695990

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-1-(3,4-dihydroxyphenyl)ethanone?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-1-(3,4-dihydroxyphenyl)ethanone (CID 43218405) is 2-(2,5-dichlorophenyl)sulfanyl-1-(3,4-dihydroxyphenyl)ethanone.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-1-(3,4-dihydroxyphenyl)ethanone?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-1-(3,4-dihydroxyphenyl)ethanone is O=C(CSc1cc(Cl)ccc1Cl)c1ccc(O)c(O)c1.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-1-(3,4-dihydroxyphenyl)ethanone?
The InChIKey is ZJHVBYBAYKNRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O3S/c15-9-2-3-10(16)14(6-9)20-7-13(19)8-1-4-11(17)12(18)5-8/h1-6,17-18H,7H2.
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-1-(3,4-dihydroxyphenyl)ethanone?
2-(2,5-dichlorophenyl)sulfanyl-1-(3,4-dihydroxyphenyl)ethanone has a molecular weight of 329.20 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanyl-1-(3,4-dihydroxyphenyl)ethanone is sourced from PubChem (CID 43218405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).