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

C15H11NO4 — CID 11242643

IUPAC6-amino-5,7-dihydroxy-2-phenylchromen-4-one
SMILESNc1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1O
InChIInChI=1S/C15H11NO4/c16-14-10(18)7-12-13(15(14)19)9(17)6-11(20-12)8-4-2-1-3-5-8/h1-7,18-19H,16H2
InChIKeyOBLILGZHQIPPOD-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.45
Rot. Bonds1

About 6-amino-5,7-dihydroxy-2-phenylchromen-4-one

6-amino-5,7-dihydroxy-2-phenylchromen-4-one (PubChem CID 11242643) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 6-amino-5,7-dihydroxy-2-phenylchromen-4-one.

Molecular Properties

Compound Name6-amino-5,7-dihydroxy-2-phenylchromen-4-one
PubChem CID11242643
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name6-amino-5,7-dihydroxy-2-phenylchromen-4-one
SMILESNc1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1O
InChIInChI=1S/C15H11NO4/c16-14-10(18)7-12-13(15(14)19)9(17)6-11(20-12)8-4-2-1-3-5-8/h1-7,18-19H,16H2
InChIKeyOBLILGZHQIPPOD-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'}

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Related Compounds

formaldehyde;bis(5,6,7-trihydroxy-2-phenylchromen-4-one)
CID 175123321
sodium;hydride;5,6,7-trihydroxy-2-phenylchromen-4-one
CID 174885991
5,7-dihydroxy-6-methyl-2-phenylchromen-4-one
CID 11536318
5,7-dihydroxy-4-oxo-2-phenylchromene-6-carbaldehyde
CID 134156790
diphenyldiazene;5,6,7-trihydroxy-2-phenylchromen-4-one
CID 174845080
CID 172853606
CID 172853606
ethane;6-ethoxy-5,7-dihydroxy-2-phenylchromen-4-one
CID 145053465
5,7-dihydroxy-6-[(E)-3-methylbut-1-enyl]-2-phenylchromen-4-one
CID 167993314
5-(3-aminopropoxy)-6,7-dihydroxy-2-phenylchromen-4-one
CID 174923932
2-(4-chlorophenyl)-5,6,7-trihydroxychromen-4-one
CID 11426691
bis(5,7-dihydroxy-2-phenylchromen-4-one);sulfuric acid
CID 174670813
7-anilino-5-hydroxy-2-phenylchromen-4-one
CID 164946024

Frequently Asked Questions

What is the IUPAC name of 6-amino-5,7-dihydroxy-2-phenylchromen-4-one?
The IUPAC name of 6-amino-5,7-dihydroxy-2-phenylchromen-4-one (CID 11242643) is 6-amino-5,7-dihydroxy-2-phenylchromen-4-one.
What is the SMILES notation for 6-amino-5,7-dihydroxy-2-phenylchromen-4-one?
The canonical SMILES for 6-amino-5,7-dihydroxy-2-phenylchromen-4-one is Nc1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1O.
What is the InChIKey of 6-amino-5,7-dihydroxy-2-phenylchromen-4-one?
The InChIKey is OBLILGZHQIPPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c16-14-10(18)7-12-13(15(14)19)9(17)6-11(20-12)8-4-2-1-3-5-8/h1-7,18-19H,16H2.
What are the key properties of 6-amino-5,7-dihydroxy-2-phenylchromen-4-one?
6-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 6-amino-5,7-dihydroxy-2-phenylchromen-4-one is sourced from PubChem (CID 11242643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).