6-aminooxy-2-phenyl-2,3-dihydrochromen-4-one

C15H13NO3 — CID 163678312

IUPAC6-aminooxy-2-phenyl-2,3-dihydrochromen-4-one
SMILESNOc1ccc2c(c1)C(=O)CC(c1ccccc1)O2
InChIInChI=1S/C15H13NO3/c16-19-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-8,15H,9,16H2
InChIKeyJIQALBYCCBDMPV-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.65
Rot. Bonds2

About 6-aminooxy-2-phenyl-2,3-dihydrochromen-4-one

6-aminooxy-2-phenyl-2,3-dihydrochromen-4-one (PubChem CID 163678312) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 6-aminooxy-2-phenyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-aminooxy-2-phenyl-2,3-dihydrochromen-4-one
PubChem CID163678312
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name6-aminooxy-2-phenyl-2,3-dihydrochromen-4-one
SMILESNOc1ccc2c(c1)C(=O)CC(c1ccccc1)O2
InChIInChI=1S/C15H13NO3/c16-19-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-8,15H,9,16H2
InChIKeyJIQALBYCCBDMPV-UHFFFAOYSA-N
XLogP2.65
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-6-bromo-2-phenyl-2,3-dihydrochromen-4-one
CID 71059551
4-oxo-2-phenyl-2,3-dihydrochromene-6-carboxylic acid
CID 5270553
6-[(5-chloro-2-pyridinyl)oxy]-2-phenyl-2,3-dihydrochromen-4-one
CID 69018063
(2S)-2-(4-fluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 853029
6-chloro-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one
CID 12073467
ethane;2-phenyl-2,3-dihydrochromen-4-one
CID 91018475
[(2R)-4-oxo-2-phenyl-2,3-dihydrochromen-7-yl] sulfamate
CID 59032849
2-(3-bromophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 114673979
[(2R)-2-(4-tert-butylphenyl)-4-oxo-2,3-dihydrochromen-6-yl] acetate
CID 70138273
trimethyl-[1-oxo-1-[8-[(4-oxo-2-phenyl-2,3-dihydrochromen-6-yl)oxy]octoxy]-3-phenylpropan-2-yl]azanium
CID 10212055
2-(3,4-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 2922801
6-[(1-methylpiperidin-3-yl)-phenylmethoxy]-2-phenyl-2,3-dihydrochromen-4-one
CID 21287453

Frequently Asked Questions

What is the IUPAC name of 6-aminooxy-2-phenyl-2,3-dihydrochromen-4-one?
The IUPAC name of 6-aminooxy-2-phenyl-2,3-dihydrochromen-4-one (CID 163678312) is 6-aminooxy-2-phenyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-aminooxy-2-phenyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-aminooxy-2-phenyl-2,3-dihydrochromen-4-one is NOc1ccc2c(c1)C(=O)CC(c1ccccc1)O2.
What is the InChIKey of 6-aminooxy-2-phenyl-2,3-dihydrochromen-4-one?
The InChIKey is JIQALBYCCBDMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c16-19-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-8,15H,9,16H2.
What are the key properties of 6-aminooxy-2-phenyl-2,3-dihydrochromen-4-one?
6-aminooxy-2-phenyl-2,3-dihydrochromen-4-one has a molecular weight of 255.27 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminooxy-2-phenyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 163678312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).