2-hydroxyimino-1-phenylhexan-1-one

C12H15NO2 — CID 71332647

IUPAC2-hydroxyimino-1-phenylhexan-1-one
SMILESCCCCC(=NO)C(=O)c1ccccc1
InChIInChI=1S/C12H15NO2/c1-2-3-9-11(13-15)12(14)10-7-5-4-6-8-10/h4-8,15H,2-3,9H2,1H3
InChIKeyMQNFQOHPNUWSRC-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.89
Rot. Bonds5

About 2-hydroxyimino-1-phenylhexan-1-one

2-hydroxyimino-1-phenylhexan-1-one (PubChem CID 71332647) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-hydroxyimino-1-phenylhexan-1-one.

Molecular Properties

Compound Name2-hydroxyimino-1-phenylhexan-1-one
PubChem CID71332647
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-hydroxyimino-1-phenylhexan-1-one
SMILESCCCCC(=NO)C(=O)c1ccccc1
InChIInChI=1S/C12H15NO2/c1-2-3-9-11(13-15)12(14)10-7-5-4-6-8-10/h4-8,15H,2-3,9H2,1H3
InChIKeyMQNFQOHPNUWSRC-UHFFFAOYSA-N
XLogP2.89
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-hydroxyimino-1-phenylhexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxyimino-1-(4-nitrophenyl)hexan-1-one
CID 174584946
(NZ)-N-[1-[3-[[(2Z)-2-hydroxyimino-1-phenylhexylidene]amino]propylimino]-1-phenylhexan-2-ylidene]hydroxylamine
CID 136679274
(2E)-3-ethoxy-2-hydroxyimino-1-phenylpropan-1-one
CID 24972949
[(E)-(1-oxo-1-phenyloctan-2-ylidene)amino] benzoate
CID 164704501
2-hydroxyiminohexanoic acid
CID 6399040
2-butyl-1-phenylnon-2-en-1-one
CID 57359358
ethane;1-phenylpentan-1-one
CID 143728184
[[1-(4-benzoylphenyl)-1-oxoheptan-2-ylidene]amino] benzoate
CID 87071558
2-hydroxyimino-1-[4-(4-nitrophenyl)phenyl]heptan-1-one
CID 142732756
[2-(2-hydroxyiminododecanoyl)-4-methylphenyl] benzoate
CID 6848037
(2E)-1-[6-(4-hydroxybenzoyl)-9-phenylcarbazol-3-yl]-2-hydroxyiminooctan-1-one
CID 168727824
[(E)-[1-oxo-1-(4-phenylsulfanylphenyl)heptan-2-ylidene]amino] benzoate
CID 59248448

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyimino-1-phenylhexan-1-one?
The IUPAC name of 2-hydroxyimino-1-phenylhexan-1-one (CID 71332647) is 2-hydroxyimino-1-phenylhexan-1-one.
What is the SMILES notation for 2-hydroxyimino-1-phenylhexan-1-one?
The canonical SMILES for 2-hydroxyimino-1-phenylhexan-1-one is CCCCC(=NO)C(=O)c1ccccc1.
What is the InChIKey of 2-hydroxyimino-1-phenylhexan-1-one?
The InChIKey is MQNFQOHPNUWSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-3-9-11(13-15)12(14)10-7-5-4-6-8-10/h4-8,15H,2-3,9H2,1H3.
What are the key properties of 2-hydroxyimino-1-phenylhexan-1-one?
2-hydroxyimino-1-phenylhexan-1-one has a molecular weight of 205.26 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyimino-1-phenylhexan-1-one is sourced from PubChem (CID 71332647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).