4-(3,5-dichloro-4-hydroxyphenyl)sulfanylbutan-2-one

C10H10Cl2O2S — CID 19750929

IUPAC4-(3,5-dichloro-4-hydroxyphenyl)sulfanylbutan-2-one
SMILESCC(=O)CCSc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C10H10Cl2O2S/c1-6(13)2-3-15-7-4-8(11)10(14)9(12)5-7/h4-5,14H,2-3H2,1H3
InChIKeyHLRDFPHKRSDWRT-UHFFFAOYSA-N
MW265.16 g/mol
LogP3.77
Rot. Bonds4

About 4-(3,5-dichloro-4-hydroxyphenyl)sulfanylbutan-2-one

4-(3,5-dichloro-4-hydroxyphenyl)sulfanylbutan-2-one (PubChem CID 19750929) has the molecular formula C10H10Cl2O2S and a molecular weight of 265.16 g/mol. Its IUPAC name is 4-(3,5-dichloro-4-hydroxyphenyl)sulfanylbutan-2-one.

Molecular Properties

Compound Name4-(3,5-dichloro-4-hydroxyphenyl)sulfanylbutan-2-one
PubChem CID19750929
Molecular FormulaC10H10Cl2O2S
Molecular Weight265.16 g/mol
Exact Mass263.98
IUPAC Name4-(3,5-dichloro-4-hydroxyphenyl)sulfanylbutan-2-one
SMILESCC(=O)CCSc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C10H10Cl2O2S/c1-6(13)2-3-15-7-4-8(11)10(14)9(12)5-7/h4-5,14H,2-3H2,1H3
InChIKeyHLRDFPHKRSDWRT-UHFFFAOYSA-N
XLogP3.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.16
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichloro-4-hydroxyphenyl)sulfanylbutan-2-one?
The IUPAC name of 4-(3,5-dichloro-4-hydroxyphenyl)sulfanylbutan-2-one (CID 19750929) is 4-(3,5-dichloro-4-hydroxyphenyl)sulfanylbutan-2-one.
What is the SMILES notation for 4-(3,5-dichloro-4-hydroxyphenyl)sulfanylbutan-2-one?
The canonical SMILES for 4-(3,5-dichloro-4-hydroxyphenyl)sulfanylbutan-2-one is CC(=O)CCSc1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of 4-(3,5-dichloro-4-hydroxyphenyl)sulfanylbutan-2-one?
The InChIKey is HLRDFPHKRSDWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O2S/c1-6(13)2-3-15-7-4-8(11)10(14)9(12)5-7/h4-5,14H,2-3H2,1H3.
What are the key properties of 4-(3,5-dichloro-4-hydroxyphenyl)sulfanylbutan-2-one?
4-(3,5-dichloro-4-hydroxyphenyl)sulfanylbutan-2-one has a molecular weight of 265.16 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichloro-4-hydroxyphenyl)sulfanylbutan-2-one is sourced from PubChem (CID 19750929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).