1-(2-hydroxy-4,6-dimethoxy-3-methylsulfanylphenyl)ethanone

C11H14O4S — CID 121223856

IUPAC1-(2-hydroxy-4,6-dimethoxy-3-methylsulfanylphenyl)ethanone
SMILESCOc1cc(OC)c(C(C)=O)c(O)c1SC
InChIInChI=1S/C11H14O4S/c1-6(12)9-7(14-2)5-8(15-3)11(16-4)10(9)13/h5,13H,1-4H3
InChIKeyWEVCBTIFXSKVAK-UHFFFAOYSA-N
MW242.30 g/mol
LogP2.33
Rot. Bonds4

About 1-(2-hydroxy-4,6-dimethoxy-3-methylsulfanylphenyl)ethanone

1-(2-hydroxy-4,6-dimethoxy-3-methylsulfanylphenyl)ethanone (PubChem CID 121223856) has the molecular formula C11H14O4S and a molecular weight of 242.30 g/mol. Its IUPAC name is 1-(2-hydroxy-4,6-dimethoxy-3-methylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-hydroxy-4,6-dimethoxy-3-methylsulfanylphenyl)ethanone
PubChem CID121223856
Molecular FormulaC11H14O4S
Molecular Weight242.30 g/mol
Exact Mass242.06
IUPAC Name1-(2-hydroxy-4,6-dimethoxy-3-methylsulfanylphenyl)ethanone
SMILESCOc1cc(OC)c(C(C)=O)c(O)c1SC
InChIInChI=1S/C11H14O4S/c1-6(12)9-7(14-2)5-8(15-3)11(16-4)10(9)13/h5,13H,1-4H3
InChIKeyWEVCBTIFXSKVAK-UHFFFAOYSA-N
XLogP2.33
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluoro-2,6-dimethoxyphenyl)ethanone
CID 117287701
1-(2-fluoro-4-hydroxy-6-methoxyphenyl)ethanone
CID 84769280
1-(3-bromo-2-fluoro-4,6-dimethoxyphenyl)ethanone
CID 84811157
1-[3-[bis(3-acetyl-2-hydroxy-4-methoxyphenyl)methyl]-2-hydroxy-6-methoxyphenyl]ethanone
CID 102327227
1-(4-tert-butyl-2,6-dimethoxyphenyl)ethanone
CID 67914983
1-[2-hydroxy-4,6-dimethoxy-3-[3-(4-methylphenyl)propyl]phenyl]ethanone
CID 174724954
(4-acetyl-3-acetyloxy-5-methoxy-2-methylphenyl) acetate
CID 166890344
1-(3-methoxy-2-methylsulfanylphenyl)ethanone
CID 117286399
1-(4-amino-2-fluoro-6-methoxyphenyl)ethanone
CID 171018286
1-(3-but-3-en-2-yl-2,4-dihydroxy-6-methoxyphenyl)ethanone
CID 13275514
1-[2-hydroxy-4,6-dimethoxy-3-[(3S)-1-methylpyrrolidin-3-yl]phenyl]ethanone
CID 148573605
2-acetyl-3,4-dihydroxy-5-methoxybenzaldehyde
CID 102396426

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4,6-dimethoxy-3-methylsulfanylphenyl)ethanone?
The IUPAC name of 1-(2-hydroxy-4,6-dimethoxy-3-methylsulfanylphenyl)ethanone (CID 121223856) is 1-(2-hydroxy-4,6-dimethoxy-3-methylsulfanylphenyl)ethanone.
What is the SMILES notation for 1-(2-hydroxy-4,6-dimethoxy-3-methylsulfanylphenyl)ethanone?
The canonical SMILES for 1-(2-hydroxy-4,6-dimethoxy-3-methylsulfanylphenyl)ethanone is COc1cc(OC)c(C(C)=O)c(O)c1SC.
What is the InChIKey of 1-(2-hydroxy-4,6-dimethoxy-3-methylsulfanylphenyl)ethanone?
The InChIKey is WEVCBTIFXSKVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4S/c1-6(12)9-7(14-2)5-8(15-3)11(16-4)10(9)13/h5,13H,1-4H3.
What are the key properties of 1-(2-hydroxy-4,6-dimethoxy-3-methylsulfanylphenyl)ethanone?
1-(2-hydroxy-4,6-dimethoxy-3-methylsulfanylphenyl)ethanone has a molecular weight of 242.30 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-4,6-dimethoxy-3-methylsulfanylphenyl)ethanone is sourced from PubChem (CID 121223856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).