2-(4-aminophenyl)-5,7-dihydroxychromen-4-one

C15H11NO4 — CID 10038709

IUPAC2-(4-aminophenyl)-5,7-dihydroxychromen-4-one
SMILESNc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1
InChIInChI=1S/C15H11NO4/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,17-18H,16H2
InChIKeyJHTPFKLMWLHCND-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.45
Rot. Bonds1

About 2-(4-aminophenyl)-5,7-dihydroxychromen-4-one

2-(4-aminophenyl)-5,7-dihydroxychromen-4-one (PubChem CID 10038709) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-(4-aminophenyl)-5,7-dihydroxychromen-4-one.

Molecular Properties

Compound Name2-(4-aminophenyl)-5,7-dihydroxychromen-4-one
PubChem CID10038709
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name2-(4-aminophenyl)-5,7-dihydroxychromen-4-one
SMILESNc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1
InChIInChI=1S/C15H11NO4/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,17-18H,16H2
InChIKeyJHTPFKLMWLHCND-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-5,7-dihydroxychromen-4-one?
The IUPAC name of 2-(4-aminophenyl)-5,7-dihydroxychromen-4-one (CID 10038709) is 2-(4-aminophenyl)-5,7-dihydroxychromen-4-one.
What is the SMILES notation for 2-(4-aminophenyl)-5,7-dihydroxychromen-4-one?
The canonical SMILES for 2-(4-aminophenyl)-5,7-dihydroxychromen-4-one is Nc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-5,7-dihydroxychromen-4-one?
The InChIKey is JHTPFKLMWLHCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,17-18H,16H2.
What are the key properties of 2-(4-aminophenyl)-5,7-dihydroxychromen-4-one?
2-(4-aminophenyl)-5,7-dihydroxychromen-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 2-(4-aminophenyl)-5,7-dihydroxychromen-4-one is sourced from PubChem (CID 10038709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).