2-aminooxy-2-(3-methylphenyl)ethanol

C9H13NO2 — CID 105433392

IUPAC2-aminooxy-2-(3-methylphenyl)ethanol
SMILESCc1cccc(C(CO)ON)c1
InChIInChI=1S/C9H13NO2/c1-7-3-2-4-8(5-7)9(6-11)12-10/h2-5,9,11H,6,10H2,1H3
InChIKeyHMWHXGOYRYVOLG-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.92
Rot. Bonds3

About 2-aminooxy-2-(3-methylphenyl)ethanol

2-aminooxy-2-(3-methylphenyl)ethanol (PubChem CID 105433392) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-aminooxy-2-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name2-aminooxy-2-(3-methylphenyl)ethanol
PubChem CID105433392
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name2-aminooxy-2-(3-methylphenyl)ethanol
SMILESCc1cccc(C(CO)ON)c1
InChIInChI=1S/C9H13NO2/c1-7-3-2-4-8(5-7)9(6-11)12-10/h2-5,9,11H,6,10H2,1H3
InChIKeyHMWHXGOYRYVOLG-UHFFFAOYSA-N
XLogP0.92
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylphenyl)propan-1-ol
CID 21478686
(2S)-3-amino-2-(3-methylphenyl)propan-1-ol
CID 86327369
3-amino-2-(3-methylphenyl)propan-1-ol
CID 46911824
4-amino-2-(3-methylphenyl)butan-1-ol
CID 115015469
2-aminooxy-2-(3-methylphenyl)acetic acid
CID 105439252
2-cyclopropyl-2-(3-methylphenyl)ethanol
CID 104819581
1-[1-[3,3-dimethyl-1-(3-methylphenyl)butoxy]-3,3-dimethylbutyl]-3-methylbenzene
CID 169096962
1-(1-hydroperoxyethyl)-3-methylbenzene
CID 131858292
2,2-bis(3-methylphenyl)ethylphosphane
CID 175045111
1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene
CID 117071538
ethyl (2S)-2-(3-methylphenyl)propanoate
CID 14891800
ethyl (2R)-2-amino-2-(3-methylphenyl)acetate
CID 93311210

Frequently Asked Questions

What is the IUPAC name of 2-aminooxy-2-(3-methylphenyl)ethanol?
The IUPAC name of 2-aminooxy-2-(3-methylphenyl)ethanol (CID 105433392) is 2-aminooxy-2-(3-methylphenyl)ethanol.
What is the SMILES notation for 2-aminooxy-2-(3-methylphenyl)ethanol?
The canonical SMILES for 2-aminooxy-2-(3-methylphenyl)ethanol is Cc1cccc(C(CO)ON)c1.
What is the InChIKey of 2-aminooxy-2-(3-methylphenyl)ethanol?
The InChIKey is HMWHXGOYRYVOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-7-3-2-4-8(5-7)9(6-11)12-10/h2-5,9,11H,6,10H2,1H3.
What are the key properties of 2-aminooxy-2-(3-methylphenyl)ethanol?
2-aminooxy-2-(3-methylphenyl)ethanol has a molecular weight of 167.21 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxy-2-(3-methylphenyl)ethanol is sourced from PubChem (CID 105433392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).