1-[3-hydroxy-5-methoxy-2-(methylamino)phenyl]ethanone

C10H13NO3 — CID 166935705

IUPAC1-[3-hydroxy-5-methoxy-2-(methylamino)phenyl]ethanone
SMILESCNc1c(O)cc(OC)cc1C(C)=O
InChIInChI=1S/C10H13NO3/c1-6(12)8-4-7(14-3)5-9(13)10(8)11-2/h4-5,11,13H,1-3H3
InChIKeyZWXMQXWUGQZTJF-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.65
Rot. Bonds3

About 1-[3-hydroxy-5-methoxy-2-(methylamino)phenyl]ethanone

1-[3-hydroxy-5-methoxy-2-(methylamino)phenyl]ethanone (PubChem CID 166935705) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-[3-hydroxy-5-methoxy-2-(methylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-hydroxy-5-methoxy-2-(methylamino)phenyl]ethanone
PubChem CID166935705
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name1-[3-hydroxy-5-methoxy-2-(methylamino)phenyl]ethanone
SMILESCNc1c(O)cc(OC)cc1C(C)=O
InChIInChI=1S/C10H13NO3/c1-6(12)8-4-7(14-3)5-9(13)10(8)11-2/h4-5,11,13H,1-3H3
InChIKeyZWXMQXWUGQZTJF-UHFFFAOYSA-N
XLogP1.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-(2-hydroxy-5-methoxy-3-methylphenyl)ethanone
CID 12616793
2-(chloroamino)-3,5-dimethoxyphenol
CID 21018373
1-[2-hydroxy-5-methoxy-3-(trifluoromethyl)phenyl]ethanone
CID 84796758
3-hydroxy-5-methoxy-N-methylbenzamide
CID 59127123
1-[3-methoxy-5-(methylamino)phenyl]ethanone
CID 137398658
1-[2-chloro-3-(difluoromethyl)-5-methoxyphenyl]ethanone
CID 171002234
ethane;1-(3-hydroxy-5-methoxyphenyl)ethanone
CID 145053959
1-[2-(2-hydroxy-4-methoxybenzoyl)phenyl]ethanone
CID 96559735
2-acetyl-3-hydroxy-5-methoxybenzaldehyde
CID 176717400
2-amino-5-methoxybenzene-1,3-dicarboxylic acid
CID 66762655
ethane;1-[2-hydroxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone
CID 91044178
1-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]ethanone
CID 84706488

Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxy-5-methoxy-2-(methylamino)phenyl]ethanone?
The IUPAC name of 1-[3-hydroxy-5-methoxy-2-(methylamino)phenyl]ethanone (CID 166935705) is 1-[3-hydroxy-5-methoxy-2-(methylamino)phenyl]ethanone.
What is the SMILES notation for 1-[3-hydroxy-5-methoxy-2-(methylamino)phenyl]ethanone?
The canonical SMILES for 1-[3-hydroxy-5-methoxy-2-(methylamino)phenyl]ethanone is CNc1c(O)cc(OC)cc1C(C)=O.
What is the InChIKey of 1-[3-hydroxy-5-methoxy-2-(methylamino)phenyl]ethanone?
The InChIKey is ZWXMQXWUGQZTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-6(12)8-4-7(14-3)5-9(13)10(8)11-2/h4-5,11,13H,1-3H3.
What are the key properties of 1-[3-hydroxy-5-methoxy-2-(methylamino)phenyl]ethanone?
1-[3-hydroxy-5-methoxy-2-(methylamino)phenyl]ethanone has a molecular weight of 195.22 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hydroxy-5-methoxy-2-(methylamino)phenyl]ethanone is sourced from PubChem (CID 166935705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).