1-(3-hydroxy-2-methoxy-6-methylphenyl)-2-(methylamino)ethanone

C11H15NO3 — CID 117298441

IUPAC1-(3-hydroxy-2-methoxy-6-methylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1c(C)ccc(O)c1OC
InChIInChI=1S/C11H15NO3/c1-7-4-5-8(13)11(15-3)10(7)9(14)6-12-2/h4-5,12-13H,6H2,1-3H3
InChIKeyRYFRTSCOKXWQDD-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.11
Rot. Bonds4

About 1-(3-hydroxy-2-methoxy-6-methylphenyl)-2-(methylamino)ethanone

1-(3-hydroxy-2-methoxy-6-methylphenyl)-2-(methylamino)ethanone (PubChem CID 117298441) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 1-(3-hydroxy-2-methoxy-6-methylphenyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(3-hydroxy-2-methoxy-6-methylphenyl)-2-(methylamino)ethanone
PubChem CID117298441
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name1-(3-hydroxy-2-methoxy-6-methylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1c(C)ccc(O)c1OC
InChIInChI=1S/C11H15NO3/c1-7-4-5-8(13)11(15-3)10(7)9(14)6-12-2/h4-5,12-13H,6H2,1-3H3
InChIKeyRYFRTSCOKXWQDD-UHFFFAOYSA-N
XLogP1.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)ethanone
CID 116915325
1-(2,5-dimethoxy-3,6-dimethylphenyl)-2-(methylamino)ethanone
CID 117347100
1-(2-bromo-6-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanone
CID 117460893
3,6-dihydroxy-2-methoxybenzoic acid
CID 15647609
2,3-dimethoxy-4-methylphenol;propane
CID 143012581
1-(3-fluoro-6-hydroxy-2-methylphenyl)-2-(methylamino)ethanone
CID 84667468
1-(6-ethyl-2-hydroxy-3-methoxyphenyl)-2-(methylamino)ethanone
CID 117319733
1-(3,4-dimethoxy-5-methylphenyl)-2-(methylamino)ethanone
CID 117319719
dimethyl 3-hydroxy-6-methylbenzene-1,2-dicarboxylate
CID 14671429
1-(3-bromo-2-methoxy-6-methylphenyl)-2-chloroethanone
CID 171004605
3-fluoro-2-methoxy-4-methylphenol
CID 164891079
1-(2-chloro-3-hydroxy-4-methoxy-6-methylphenyl)-2-(methylamino)ethanone
CID 117361222

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2-methoxy-6-methylphenyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(3-hydroxy-2-methoxy-6-methylphenyl)-2-(methylamino)ethanone (CID 117298441) is 1-(3-hydroxy-2-methoxy-6-methylphenyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(3-hydroxy-2-methoxy-6-methylphenyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(3-hydroxy-2-methoxy-6-methylphenyl)-2-(methylamino)ethanone is CNCC(=O)c1c(C)ccc(O)c1OC.
What is the InChIKey of 1-(3-hydroxy-2-methoxy-6-methylphenyl)-2-(methylamino)ethanone?
The InChIKey is RYFRTSCOKXWQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7-4-5-8(13)11(15-3)10(7)9(14)6-12-2/h4-5,12-13H,6H2,1-3H3.
What are the key properties of 1-(3-hydroxy-2-methoxy-6-methylphenyl)-2-(methylamino)ethanone?
1-(3-hydroxy-2-methoxy-6-methylphenyl)-2-(methylamino)ethanone has a molecular weight of 209.24 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2-methoxy-6-methylphenyl)-2-(methylamino)ethanone is sourced from PubChem (CID 117298441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).