3-(hydroxyamino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one

C16H17NO3 — CID 15639389

IUPAC3-(hydroxyamino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
SMILESCOc1ccc(C(CC(=O)c2ccccc2)NO)cc1
InChIInChI=1S/C16H17NO3/c1-20-14-9-7-12(8-10-14)15(17-19)11-16(18)13-5-3-2-4-6-13/h2-10,15,17,19H,11H2,1H3
InChIKeyGLXWFZDQVQJAPB-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.99
Rot. Bonds6

About 3-(hydroxyamino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one

3-(hydroxyamino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one (PubChem CID 15639389) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-(hydroxyamino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(hydroxyamino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
PubChem CID15639389
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name3-(hydroxyamino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
SMILESCOc1ccc(C(CC(=O)c2ccccc2)NO)cc1
InChIInChI=1S/C16H17NO3/c1-20-14-9-7-12(8-10-14)15(17-19)11-16(18)13-5-3-2-4-6-13/h2-10,15,17,19H,11H2,1H3
InChIKeyGLXWFZDQVQJAPB-UHFFFAOYSA-N
XLogP2.99
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.99
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

ethyl N-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate
CID 86017823
(3R)-3-(4-methoxyphenyl)-1-phenylpentane-1,4-dione
CID 23661145
(3S)-3-(4-fluoroanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 704697
(3R)-3-(4-ethylanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 100816884
benzyl N-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate
CID 102386370
3-(4-chlorophenyl)-3-(hydroxyamino)-1-phenylpropan-1-one
CID 15639390
3-anilino-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one
CID 12996503
3-anilino-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 132592185
4,4,4-trifluoro-3-(4-methoxyphenyl)-1-phenylbutan-1-one
CID 71421950
3-(4-methoxyphenyl)-3-[5-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]-1H-pyrrol-2-yl]-1-phenylpropan-1-one
CID 102404117
1-(4-methoxyphenyl)-3-(pentylamino)-3-phenylpropan-1-one
CID 139795003
3-(hydroxymethylsulfanyl)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 66695276

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxyamino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one?
The IUPAC name of 3-(hydroxyamino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one (CID 15639389) is 3-(hydroxyamino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(hydroxyamino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one?
The canonical SMILES for 3-(hydroxyamino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one is COc1ccc(C(CC(=O)c2ccccc2)NO)cc1.
What is the InChIKey of 3-(hydroxyamino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one?
The InChIKey is GLXWFZDQVQJAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-20-14-9-7-12(8-10-14)15(17-19)11-16(18)13-5-3-2-4-6-13/h2-10,15,17,19H,11H2,1H3.
What are the key properties of 3-(hydroxyamino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one?
3-(hydroxyamino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one has a molecular weight of 271.32 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxyamino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one is sourced from PubChem (CID 15639389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).