7-(4-aminophenyl)-5-hydroxy-2-phenylchromen-4-one

C21H15NO3 — CID 164524487

IUPAC7-(4-aminophenyl)-5-hydroxy-2-phenylchromen-4-one
SMILESNc1ccc(-c2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)cc1
InChIInChI=1S/C21H15NO3/c22-16-8-6-13(7-9-16)15-10-17(23)21-18(24)12-19(25-20(21)11-15)14-4-2-1-3-5-14/h1-12,23H,22H2
InChIKeyNOVBPLFKRSMXOB-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.41
Rot. Bonds2

About 7-(4-aminophenyl)-5-hydroxy-2-phenylchromen-4-one

7-(4-aminophenyl)-5-hydroxy-2-phenylchromen-4-one (PubChem CID 164524487) has the molecular formula C21H15NO3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 7-(4-aminophenyl)-5-hydroxy-2-phenylchromen-4-one.

Molecular Properties

Compound Name7-(4-aminophenyl)-5-hydroxy-2-phenylchromen-4-one
PubChem CID164524487
Molecular FormulaC21H15NO3
Molecular Weight329.36 g/mol
Exact Mass329.11
IUPAC Name7-(4-aminophenyl)-5-hydroxy-2-phenylchromen-4-one
SMILESNc1ccc(-c2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)cc1
InChIInChI=1S/C21H15NO3/c22-16-8-6-13(7-9-16)15-10-17(23)21-18(24)12-19(25-20(21)11-15)14-4-2-1-3-5-14/h1-12,23H,22H2
InChIKeyNOVBPLFKRSMXOB-UHFFFAOYSA-N
XLogP4.41
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.41
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 7-(4-aminophenyl)-5-hydroxy-2-phenylchromen-4-one?
The IUPAC name of 7-(4-aminophenyl)-5-hydroxy-2-phenylchromen-4-one (CID 164524487) is 7-(4-aminophenyl)-5-hydroxy-2-phenylchromen-4-one.
What is the SMILES notation for 7-(4-aminophenyl)-5-hydroxy-2-phenylchromen-4-one?
The canonical SMILES for 7-(4-aminophenyl)-5-hydroxy-2-phenylchromen-4-one is Nc1ccc(-c2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)cc1.
What is the InChIKey of 7-(4-aminophenyl)-5-hydroxy-2-phenylchromen-4-one?
The InChIKey is NOVBPLFKRSMXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO3/c22-16-8-6-13(7-9-16)15-10-17(23)21-18(24)12-19(25-20(21)11-15)14-4-2-1-3-5-14/h1-12,23H,22H2.
What are the key properties of 7-(4-aminophenyl)-5-hydroxy-2-phenylchromen-4-one?
7-(4-aminophenyl)-5-hydroxy-2-phenylchromen-4-one has a molecular weight of 329.36 g/mol, XLogP of 4.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-aminophenyl)-5-hydroxy-2-phenylchromen-4-one is sourced from PubChem (CID 164524487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).