2-(aminooxymethyl)-6-methoxy-4-propan-2-ylphenol

C11H17NO3 — CID 117301823

IUPAC2-(aminooxymethyl)-6-methoxy-4-propan-2-ylphenol
SMILESCOc1cc(C(C)C)cc(CON)c1O
InChIInChI=1S/C11H17NO3/c1-7(2)8-4-9(6-15-12)11(13)10(5-8)14-3/h4-5,7,13H,6,12H2,1-3H3
InChIKeyDNXVYNLKNSOOOR-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.91
Rot. Bonds4

About 2-(aminooxymethyl)-6-methoxy-4-propan-2-ylphenol

2-(aminooxymethyl)-6-methoxy-4-propan-2-ylphenol (PubChem CID 117301823) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(aminooxymethyl)-6-methoxy-4-propan-2-ylphenol.

Molecular Properties

Compound Name2-(aminooxymethyl)-6-methoxy-4-propan-2-ylphenol
PubChem CID117301823
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-(aminooxymethyl)-6-methoxy-4-propan-2-ylphenol
SMILESCOc1cc(C(C)C)cc(CON)c1O
InChIInChI=1S/C11H17NO3/c1-7(2)8-4-9(6-15-12)11(13)10(5-8)14-3/h4-5,7,13H,6,12H2,1-3H3
InChIKeyDNXVYNLKNSOOOR-UHFFFAOYSA-N
XLogP1.91
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-hydroxypropyl)-6-methoxy-4-propan-2-ylphenol
CID 117322314
3-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-methylpropanoic acid
CID 117384048
2-methoxy-6-[(2-phenylhydrazinyl)methyl]-4-propan-2-ylphenol
CID 169385201
O-[(2-methoxy-4,5-dimethylphenyl)methyl]hydroxylamine
CID 83482464
2-methanehydrazonoyl-6-methoxy-4-propan-2-ylphenol
CID 168529675
ethyl 2-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-oxoacetate
CID 117419486
1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene
CID 144562755
4-[(1S)-1-amino-2-methylbutyl]-2,6-dimethoxyphenol
CID 171219341
4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol
CID 171199776
1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)propan-2-amine
CID 117461403
4-[(1S)-1-amino-2-methylbutyl]-2,6-dimethoxyphenol;hydrochloride
CID 171219342
ethane;1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene
CID 144562754

Frequently Asked Questions

What is the IUPAC name of 2-(aminooxymethyl)-6-methoxy-4-propan-2-ylphenol?
The IUPAC name of 2-(aminooxymethyl)-6-methoxy-4-propan-2-ylphenol (CID 117301823) is 2-(aminooxymethyl)-6-methoxy-4-propan-2-ylphenol.
What is the SMILES notation for 2-(aminooxymethyl)-6-methoxy-4-propan-2-ylphenol?
The canonical SMILES for 2-(aminooxymethyl)-6-methoxy-4-propan-2-ylphenol is COc1cc(C(C)C)cc(CON)c1O.
What is the InChIKey of 2-(aminooxymethyl)-6-methoxy-4-propan-2-ylphenol?
The InChIKey is DNXVYNLKNSOOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-7(2)8-4-9(6-15-12)11(13)10(5-8)14-3/h4-5,7,13H,6,12H2,1-3H3.
What are the key properties of 2-(aminooxymethyl)-6-methoxy-4-propan-2-ylphenol?
2-(aminooxymethyl)-6-methoxy-4-propan-2-ylphenol has a molecular weight of 211.26 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminooxymethyl)-6-methoxy-4-propan-2-ylphenol is sourced from PubChem (CID 117301823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).