1-[5-hydroxy-4-methoxy-2-(methylamino)phenyl]propan-1-one

C11H15NO3 — CID 163275234

IUPAC1-[5-hydroxy-4-methoxy-2-(methylamino)phenyl]propan-1-one
SMILESCCC(=O)c1cc(O)c(OC)cc1NC
InChIInChI=1S/C11H15NO3/c1-4-9(13)7-5-10(14)11(15-3)6-8(7)12-2/h5-6,12,14H,4H2,1-3H3
InChIKeyMTFIVNZXIPLEJR-UHFFFAOYSA-N
MW209.24 g/mol
LogP2.04
Rot. Bonds4

About 1-[5-hydroxy-4-methoxy-2-(methylamino)phenyl]propan-1-one

1-[5-hydroxy-4-methoxy-2-(methylamino)phenyl]propan-1-one (PubChem CID 163275234) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 1-[5-hydroxy-4-methoxy-2-(methylamino)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[5-hydroxy-4-methoxy-2-(methylamino)phenyl]propan-1-one
PubChem CID163275234
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name1-[5-hydroxy-4-methoxy-2-(methylamino)phenyl]propan-1-one
SMILESCCC(=O)c1cc(O)c(OC)cc1NC
InChIInChI=1S/C11H15NO3/c1-4-9(13)7-5-10(14)11(15-3)6-8(7)12-2/h5-6,12,14H,4H2,1-3H3
InChIKeyMTFIVNZXIPLEJR-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-chloro-4-methoxy-2-(methylamino)benzamide
CID 170992570
2-chloro-1-[5-methoxy-4-methyl-2-(methylamino)phenyl]ethanone
CID 45117928
N-[2,5-dimethoxy-4-(propanoylamino)phenyl]propanamide
CID 146415874
1-(4-hydroxy-2-methoxyphenyl)propan-1-one
CID 68757137
1-(5-hydroxy-2-methoxyphenyl)propan-1-one
CID 15574178
1-(2-amino-4,5-dimethoxyphenyl)propan-1-one
CID 7148511
ethyl N-[2-hydroxy-5-methoxy-4-(methylamino)phenyl]carbamate
CID 70034657
1-(4-chloro-2-methoxyphenyl)propan-1-one
CID 19901195
2-methyl-4-(methylamino)-5-propanoylbenzaldehyde
CID 142602755
1-[5-ethyl-2-(hydroxymethyl)-4-methoxyphenyl]propan-1-one
CID 118438431
2-chloro-4-hydroxy-5-methoxybenzohydrazide
CID 59092222
2-chloro-N-(4-hydroxy-2,5-dimethoxyphenyl)acetamide
CID 91138680

Frequently Asked Questions

What is the IUPAC name of 1-[5-hydroxy-4-methoxy-2-(methylamino)phenyl]propan-1-one?
The IUPAC name of 1-[5-hydroxy-4-methoxy-2-(methylamino)phenyl]propan-1-one (CID 163275234) is 1-[5-hydroxy-4-methoxy-2-(methylamino)phenyl]propan-1-one.
What is the SMILES notation for 1-[5-hydroxy-4-methoxy-2-(methylamino)phenyl]propan-1-one?
The canonical SMILES for 1-[5-hydroxy-4-methoxy-2-(methylamino)phenyl]propan-1-one is CCC(=O)c1cc(O)c(OC)cc1NC.
What is the InChIKey of 1-[5-hydroxy-4-methoxy-2-(methylamino)phenyl]propan-1-one?
The InChIKey is MTFIVNZXIPLEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-4-9(13)7-5-10(14)11(15-3)6-8(7)12-2/h5-6,12,14H,4H2,1-3H3.
What are the key properties of 1-[5-hydroxy-4-methoxy-2-(methylamino)phenyl]propan-1-one?
1-[5-hydroxy-4-methoxy-2-(methylamino)phenyl]propan-1-one has a molecular weight of 209.24 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-hydroxy-4-methoxy-2-(methylamino)phenyl]propan-1-one is sourced from PubChem (CID 163275234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).