1-[2,4-dihydroxy-6-(methoxymethyl)-3-methylphenyl]ethanone

C11H14O4 — CID 46894081

IUPAC1-[2,4-dihydroxy-6-(methoxymethyl)-3-methylphenyl]ethanone
SMILESCOCc1cc(O)c(C)c(O)c1C(C)=O
InChIInChI=1S/C11H14O4/c1-6-9(13)4-8(5-15-3)10(7(2)12)11(6)14/h4,13-14H,5H2,1-3H3
InChIKeyCYSPSLPPUJLLND-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.76
Rot. Bonds3

About 1-[2,4-dihydroxy-6-(methoxymethyl)-3-methylphenyl]ethanone

1-[2,4-dihydroxy-6-(methoxymethyl)-3-methylphenyl]ethanone (PubChem CID 46894081) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 1-[2,4-dihydroxy-6-(methoxymethyl)-3-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[2,4-dihydroxy-6-(methoxymethyl)-3-methylphenyl]ethanone
PubChem CID46894081
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name1-[2,4-dihydroxy-6-(methoxymethyl)-3-methylphenyl]ethanone
SMILESCOCc1cc(O)c(C)c(O)c1C(C)=O
InChIInChI=1S/C11H14O4/c1-6-9(13)4-8(5-15-3)10(7(2)12)11(6)14/h4,13-14H,5H2,1-3H3
InChIKeyCYSPSLPPUJLLND-UHFFFAOYSA-N
XLogP1.76
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2,4-dihydroxy-6-(methoxymethyl)-3-methylphenyl]ethanone?
The IUPAC name of 1-[2,4-dihydroxy-6-(methoxymethyl)-3-methylphenyl]ethanone (CID 46894081) is 1-[2,4-dihydroxy-6-(methoxymethyl)-3-methylphenyl]ethanone.
What is the SMILES notation for 1-[2,4-dihydroxy-6-(methoxymethyl)-3-methylphenyl]ethanone?
The canonical SMILES for 1-[2,4-dihydroxy-6-(methoxymethyl)-3-methylphenyl]ethanone is COCc1cc(O)c(C)c(O)c1C(C)=O.
What is the InChIKey of 1-[2,4-dihydroxy-6-(methoxymethyl)-3-methylphenyl]ethanone?
The InChIKey is CYSPSLPPUJLLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-6-9(13)4-8(5-15-3)10(7(2)12)11(6)14/h4,13-14H,5H2,1-3H3.
What are the key properties of 1-[2,4-dihydroxy-6-(methoxymethyl)-3-methylphenyl]ethanone?
1-[2,4-dihydroxy-6-(methoxymethyl)-3-methylphenyl]ethanone has a molecular weight of 210.23 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-dihydroxy-6-(methoxymethyl)-3-methylphenyl]ethanone is sourced from PubChem (CID 46894081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).