5-(ethylaminooxy)-6,7-dihydroxy-2-phenylchromen-4-one

C17H15NO5 — CID 175061039

IUPAC5-(ethylaminooxy)-6,7-dihydroxy-2-phenylchromen-4-one
SMILESCCNOc1c(O)c(O)cc2oc(-c3ccccc3)cc(=O)c12
InChIInChI=1S/C17H15NO5/c1-2-18-23-17-15-11(19)8-13(10-6-4-3-5-7-10)22-14(15)9-12(20)16(17)21/h3-9,18,20-21H,2H2,1H3
InChIKeyVSNGWKATYIUWQM-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.77
Rot. Bonds4

About 5-(ethylaminooxy)-6,7-dihydroxy-2-phenylchromen-4-one

5-(ethylaminooxy)-6,7-dihydroxy-2-phenylchromen-4-one (PubChem CID 175061039) has the molecular formula C17H15NO5 and a molecular weight of 313.31 g/mol. Its IUPAC name is 5-(ethylaminooxy)-6,7-dihydroxy-2-phenylchromen-4-one.

Molecular Properties

Compound Name5-(ethylaminooxy)-6,7-dihydroxy-2-phenylchromen-4-one
PubChem CID175061039
Molecular FormulaC17H15NO5
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Name5-(ethylaminooxy)-6,7-dihydroxy-2-phenylchromen-4-one
SMILESCCNOc1c(O)c(O)cc2oc(-c3ccccc3)cc(=O)c12
InChIInChI=1S/C17H15NO5/c1-2-18-23-17-15-11(19)8-13(10-6-4-3-5-7-10)22-14(15)9-12(20)16(17)21/h3-9,18,20-21H,2H2,1H3
InChIKeyVSNGWKATYIUWQM-UHFFFAOYSA-N
XLogP2.77
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(3-aminopropoxy)-6,7-dihydroxy-2-phenylchromen-4-one
CID 174923932
ethane;6-ethoxy-5,7-dihydroxy-2-phenylchromen-4-one
CID 145053465
sodium;hydride;5,6,7-trihydroxy-2-phenylchromen-4-one
CID 174885991
formaldehyde;bis(5,6,7-trihydroxy-2-phenylchromen-4-one)
CID 175123321
5,7-dihydroxy-6-methyl-2-phenylchromen-4-one
CID 11536318
6-ethoxy-5-hydroxy-7-methoxy-2-phenylchromen-4-one
CID 11209160
diphenyldiazene;5,6,7-trihydroxy-2-phenylchromen-4-one
CID 174845080
6-amino-5,7-dihydroxy-2-phenylchromen-4-one
CID 11242643
6-hydroxy-2-phenyl-5,7-bis(phenylmethoxy)chromen-4-one
CID 171061853
5-hydroxy-6,7-dimethoxy-2-(4-phenylphenyl)chromen-4-one
CID 127039057
[5,6-bis(diethylcarbamoyloxy)-4-oxo-2-phenylchromen-7-yl] N,N-diethylcarbamate
CID 175640007
ethyl 2-(5,7-dihydroxy-4-oxo-2-phenylchromen-6-yl)oxy-2-methylpropanoate
CID 141212404

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminooxy)-6,7-dihydroxy-2-phenylchromen-4-one?
The IUPAC name of 5-(ethylaminooxy)-6,7-dihydroxy-2-phenylchromen-4-one (CID 175061039) is 5-(ethylaminooxy)-6,7-dihydroxy-2-phenylchromen-4-one.
What is the SMILES notation for 5-(ethylaminooxy)-6,7-dihydroxy-2-phenylchromen-4-one?
The canonical SMILES for 5-(ethylaminooxy)-6,7-dihydroxy-2-phenylchromen-4-one is CCNOc1c(O)c(O)cc2oc(-c3ccccc3)cc(=O)c12.
What is the InChIKey of 5-(ethylaminooxy)-6,7-dihydroxy-2-phenylchromen-4-one?
The InChIKey is VSNGWKATYIUWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO5/c1-2-18-23-17-15-11(19)8-13(10-6-4-3-5-7-10)22-14(15)9-12(20)16(17)21/h3-9,18,20-21H,2H2,1H3.
What are the key properties of 5-(ethylaminooxy)-6,7-dihydroxy-2-phenylchromen-4-one?
5-(ethylaminooxy)-6,7-dihydroxy-2-phenylchromen-4-one has a molecular weight of 313.31 g/mol, XLogP of 2.77, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminooxy)-6,7-dihydroxy-2-phenylchromen-4-one is sourced from PubChem (CID 175061039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).