2-(4-aminophenyl)-7-hydroxychromen-4-one

C15H11NO3 — CID 14791392

IUPAC2-(4-aminophenyl)-7-hydroxychromen-4-one
SMILESNc1ccc(-c2cc(=O)c3ccc(O)cc3o2)cc1
InChIInChI=1S/C15H11NO3/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-8,17H,16H2
InChIKeyMYNFUICRGYXJID-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.75
Rot. Bonds1

About 2-(4-aminophenyl)-7-hydroxychromen-4-one

2-(4-aminophenyl)-7-hydroxychromen-4-one (PubChem CID 14791392) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(4-aminophenyl)-7-hydroxychromen-4-one.

Molecular Properties

Compound Name2-(4-aminophenyl)-7-hydroxychromen-4-one
PubChem CID14791392
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name2-(4-aminophenyl)-7-hydroxychromen-4-one
SMILESNc1ccc(-c2cc(=O)c3ccc(O)cc3o2)cc1
InChIInChI=1S/C15H11NO3/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-8,17H,16H2
InChIKeyMYNFUICRGYXJID-UHFFFAOYSA-N
XLogP2.75
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-7-hydroxychromen-4-one?
The IUPAC name of 2-(4-aminophenyl)-7-hydroxychromen-4-one (CID 14791392) is 2-(4-aminophenyl)-7-hydroxychromen-4-one.
What is the SMILES notation for 2-(4-aminophenyl)-7-hydroxychromen-4-one?
The canonical SMILES for 2-(4-aminophenyl)-7-hydroxychromen-4-one is Nc1ccc(-c2cc(=O)c3ccc(O)cc3o2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-7-hydroxychromen-4-one?
The InChIKey is MYNFUICRGYXJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-8,17H,16H2.
What are the key properties of 2-(4-aminophenyl)-7-hydroxychromen-4-one?
2-(4-aminophenyl)-7-hydroxychromen-4-one has a molecular weight of 253.26 g/mol, XLogP of 2.75, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-7-hydroxychromen-4-one is sourced from PubChem (CID 14791392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).