1-(2,4-dihydroxyphenyl)-2-(2-methylpropylsulfanyl)ethanone

C12H16O3S — CID 43232339

IUPAC1-(2,4-dihydroxyphenyl)-2-(2-methylpropylsulfanyl)ethanone
SMILESCC(C)CSCC(=O)c1ccc(O)cc1O
InChIInChI=1S/C12H16O3S/c1-8(2)6-16-7-12(15)10-4-3-9(13)5-11(10)14/h3-5,8,13-14H,6-7H2,1-2H3
InChIKeyBIABLWAHNWXGEG-UHFFFAOYSA-N
MW240.32 g/mol
LogP2.67
Rot. Bonds5

About 1-(2,4-dihydroxyphenyl)-2-(2-methylpropylsulfanyl)ethanone

1-(2,4-dihydroxyphenyl)-2-(2-methylpropylsulfanyl)ethanone (PubChem CID 43232339) has the molecular formula C12H16O3S and a molecular weight of 240.32 g/mol. Its IUPAC name is 1-(2,4-dihydroxyphenyl)-2-(2-methylpropylsulfanyl)ethanone.

Molecular Properties

Compound Name1-(2,4-dihydroxyphenyl)-2-(2-methylpropylsulfanyl)ethanone
PubChem CID43232339
Molecular FormulaC12H16O3S
Molecular Weight240.32 g/mol
Exact Mass240.08
IUPAC Name1-(2,4-dihydroxyphenyl)-2-(2-methylpropylsulfanyl)ethanone
SMILESCC(C)CSCC(=O)c1ccc(O)cc1O
InChIInChI=1S/C12H16O3S/c1-8(2)6-16-7-12(15)10-4-3-9(13)5-11(10)14/h3-5,8,13-14H,6-7H2,1-2H3
InChIKeyBIABLWAHNWXGEG-UHFFFAOYSA-N
XLogP2.67
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dihydroxyphenyl)-2-hydroxyethanone
CID 11715230
2-(2-methylpropylsulfanyl)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone
CID 102752505
1-(2,5-dimethylthiophen-3-yl)-2-(2-methylpropylsulfanyl)ethanone
CID 43222252
1-(2,4-dihydroxyphenyl)-2-[methyl(3-methylbutyl)amino]ethanone
CID 61429345
1-(2,4-dihydroxyphenyl)-3-hydroxypropan-1-one
CID 130033868
(2S)-1-(2,4-dihydroxyphenyl)-2-methylbutan-1-one
CID 14716302
1-(2,4-dihydroxyphenyl)-2-(2-propan-2-ylphenoxy)ethanone
CID 724519
1-(4-bromophenyl)-2-(2-methylpropylsulfanyl)ethanone
CID 43412794
1-(2,4-dihydroxyphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanone
CID 75413789
1-(2,4-dihydroxyphenyl)-2-(4-propan-2-yloxyphenyl)ethanone
CID 765925
1-(2,4-dihydroxyphenyl)-2-(4-ethoxyphenoxy)ethanone
CID 678669
1-(4-tert-butylphenyl)-2-(2-methylpropylsulfanyl)ethanone
CID 60625119

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dihydroxyphenyl)-2-(2-methylpropylsulfanyl)ethanone?
The IUPAC name of 1-(2,4-dihydroxyphenyl)-2-(2-methylpropylsulfanyl)ethanone (CID 43232339) is 1-(2,4-dihydroxyphenyl)-2-(2-methylpropylsulfanyl)ethanone.
What is the SMILES notation for 1-(2,4-dihydroxyphenyl)-2-(2-methylpropylsulfanyl)ethanone?
The canonical SMILES for 1-(2,4-dihydroxyphenyl)-2-(2-methylpropylsulfanyl)ethanone is CC(C)CSCC(=O)c1ccc(O)cc1O.
What is the InChIKey of 1-(2,4-dihydroxyphenyl)-2-(2-methylpropylsulfanyl)ethanone?
The InChIKey is BIABLWAHNWXGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3S/c1-8(2)6-16-7-12(15)10-4-3-9(13)5-11(10)14/h3-5,8,13-14H,6-7H2,1-2H3.
What are the key properties of 1-(2,4-dihydroxyphenyl)-2-(2-methylpropylsulfanyl)ethanone?
1-(2,4-dihydroxyphenyl)-2-(2-methylpropylsulfanyl)ethanone has a molecular weight of 240.32 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dihydroxyphenyl)-2-(2-methylpropylsulfanyl)ethanone is sourced from PubChem (CID 43232339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).