6,8-diamino-7-hydroxy-2-phenylchromen-4-one

C15H12N2O3 — CID 45116967

IUPAC6,8-diamino-7-hydroxy-2-phenylchromen-4-one
SMILESNc1cc2c(=O)cc(-c3ccccc3)oc2c(N)c1O
InChIInChI=1S/C15H12N2O3/c16-10-6-9-11(18)7-12(8-4-2-1-3-5-8)20-15(9)13(17)14(10)19/h1-7,19H,16-17H2
InChIKeyLGYRQFUVWGGRQR-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.33
Rot. Bonds1

About 6,8-diamino-7-hydroxy-2-phenylchromen-4-one

6,8-diamino-7-hydroxy-2-phenylchromen-4-one (PubChem CID 45116967) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 6,8-diamino-7-hydroxy-2-phenylchromen-4-one.

Molecular Properties

Compound Name6,8-diamino-7-hydroxy-2-phenylchromen-4-one
PubChem CID45116967
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name6,8-diamino-7-hydroxy-2-phenylchromen-4-one
SMILESNc1cc2c(=O)cc(-c3ccccc3)oc2c(N)c1O
InChIInChI=1S/C15H12N2O3/c16-10-6-9-11(18)7-12(8-4-2-1-3-5-8)20-15(9)13(17)14(10)19/h1-7,19H,16-17H2
InChIKeyLGYRQFUVWGGRQR-UHFFFAOYSA-N
XLogP2.33
TPSA102.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.33
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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Frequently Asked Questions

What is the IUPAC name of 6,8-diamino-7-hydroxy-2-phenylchromen-4-one?
The IUPAC name of 6,8-diamino-7-hydroxy-2-phenylchromen-4-one (CID 45116967) is 6,8-diamino-7-hydroxy-2-phenylchromen-4-one.
What is the SMILES notation for 6,8-diamino-7-hydroxy-2-phenylchromen-4-one?
The canonical SMILES for 6,8-diamino-7-hydroxy-2-phenylchromen-4-one is Nc1cc2c(=O)cc(-c3ccccc3)oc2c(N)c1O.
What is the InChIKey of 6,8-diamino-7-hydroxy-2-phenylchromen-4-one?
The InChIKey is LGYRQFUVWGGRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c16-10-6-9-11(18)7-12(8-4-2-1-3-5-8)20-15(9)13(17)14(10)19/h1-7,19H,16-17H2.
What are the key properties of 6,8-diamino-7-hydroxy-2-phenylchromen-4-one?
6,8-diamino-7-hydroxy-2-phenylchromen-4-one has a molecular weight of 268.27 g/mol, XLogP of 2.33, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-diamino-7-hydroxy-2-phenylchromen-4-one is sourced from PubChem (CID 45116967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).