8-amino-5,7-dihydroxy-2-phenylchromen-4-one

C15H11NO4 — CID 5480909

IUPAC8-amino-5,7-dihydroxy-2-phenylchromen-4-one
SMILESNc1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12
InChIInChI=1S/C15H11NO4/c16-14-11(19)6-9(17)13-10(18)7-12(20-15(13)14)8-4-2-1-3-5-8/h1-7,17,19H,16H2
InChIKeyOHQMPZAEJQQKLF-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.45
Rot. Bonds1

About 8-amino-5,7-dihydroxy-2-phenylchromen-4-one

8-amino-5,7-dihydroxy-2-phenylchromen-4-one (PubChem CID 5480909) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 8-amino-5,7-dihydroxy-2-phenylchromen-4-one.

Molecular Properties

Compound Name8-amino-5,7-dihydroxy-2-phenylchromen-4-one
PubChem CID5480909
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name8-amino-5,7-dihydroxy-2-phenylchromen-4-one
SMILESNc1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12
InChIInChI=1S/C15H11NO4/c16-14-11(19)6-9(17)13-10(18)7-12(20-15(13)14)8-4-2-1-3-5-8/h1-7,17,19H,16H2
InChIKeyOHQMPZAEJQQKLF-UHFFFAOYSA-N
XLogP2.45
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

Disperse Red 60
CID 28531
Navicet Pink RF
CID 16927
1,8-Di-Hydroxy-4-Nitro-Xanthen-9-One
CID 5326637
E-3-(3-azanyl-4-methoxy-phenyl)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)prop-2-en-1-one
CID 72188750
9,10-Anthracenedione, 1-amino-4-hydroxy-2-(4-hydroxyphenoxy)-
CID 87728
9,10-Anthracenedione, 1-amino-4-hydroxy-2-(3-hydroxybutoxy)-
CID 102955
9,10-Anthracenedione, 1-amino-4-hydroxy-2-[(6-hydroxyhexyl)oxy]-
CID 118617
2-(2-Chlorophenyl)-5,7-dihydroxy-8-nitrochromen-4-one
CID 5314946
Piscerythramine
CID 5281802
9,10-Anthracenedione, 1-amino-4-hydroxy-2-(2-hydroxyethoxy)-
CID 87341
7-Hydroxy-6-nitro-2-phenyl-chromen-4-one
CID 10755384
5-Hydroxy-2-(2-methoxyphenyl)-8-nitro-chromone
CID 16060391

Frequently Asked Questions

What is the IUPAC name of 8-amino-5,7-dihydroxy-2-phenylchromen-4-one?
The IUPAC name of 8-amino-5,7-dihydroxy-2-phenylchromen-4-one (CID 5480909) is 8-amino-5,7-dihydroxy-2-phenylchromen-4-one.
What is the SMILES notation for 8-amino-5,7-dihydroxy-2-phenylchromen-4-one?
The canonical SMILES for 8-amino-5,7-dihydroxy-2-phenylchromen-4-one is Nc1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12.
What is the InChIKey of 8-amino-5,7-dihydroxy-2-phenylchromen-4-one?
The InChIKey is OHQMPZAEJQQKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c16-14-11(19)6-9(17)13-10(18)7-12(20-15(13)14)8-4-2-1-3-5-8/h1-7,17,19H,16H2.
What are the key properties of 8-amino-5,7-dihydroxy-2-phenylchromen-4-one?
8-amino-5,7-dihydroxy-2-phenylchromen-4-one has a molecular weight of 269.26 g/mol, XLogP of 2.45, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-5,7-dihydroxy-2-phenylchromen-4-one is sourced from PubChem (CID 5480909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).