3-(4-aminophenyl)-6,7-dimethylchromen-4-one

C17H15NO2 — CID 119106347

IUPAC3-(4-aminophenyl)-6,7-dimethylchromen-4-one
SMILESCc1cc2occ(-c3ccc(N)cc3)c(=O)c2cc1C
InChIInChI=1S/C17H15NO2/c1-10-7-14-16(8-11(10)2)20-9-15(17(14)19)12-3-5-13(18)6-4-12/h3-9H,18H2,1-2H3
InChIKeyVIOBHXQBMDODGY-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.66
Rot. Bonds1

About 3-(4-aminophenyl)-6,7-dimethylchromen-4-one

3-(4-aminophenyl)-6,7-dimethylchromen-4-one (PubChem CID 119106347) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-(4-aminophenyl)-6,7-dimethylchromen-4-one.

Molecular Properties

Compound Name3-(4-aminophenyl)-6,7-dimethylchromen-4-one
PubChem CID119106347
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name3-(4-aminophenyl)-6,7-dimethylchromen-4-one
SMILESCc1cc2occ(-c3ccc(N)cc3)c(=O)c2cc1C
InChIInChI=1S/C17H15NO2/c1-10-7-14-16(8-11(10)2)20-9-15(17(14)19)12-3-5-13(18)6-4-12/h3-9H,18H2,1-2H3
InChIKeyVIOBHXQBMDODGY-UHFFFAOYSA-N
XLogP3.66
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-6,7-dimethylchromen-4-one?
The IUPAC name of 3-(4-aminophenyl)-6,7-dimethylchromen-4-one (CID 119106347) is 3-(4-aminophenyl)-6,7-dimethylchromen-4-one.
What is the SMILES notation for 3-(4-aminophenyl)-6,7-dimethylchromen-4-one?
The canonical SMILES for 3-(4-aminophenyl)-6,7-dimethylchromen-4-one is Cc1cc2occ(-c3ccc(N)cc3)c(=O)c2cc1C.
What is the InChIKey of 3-(4-aminophenyl)-6,7-dimethylchromen-4-one?
The InChIKey is VIOBHXQBMDODGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-10-7-14-16(8-11(10)2)20-9-15(17(14)19)12-3-5-13(18)6-4-12/h3-9H,18H2,1-2H3.
What are the key properties of 3-(4-aminophenyl)-6,7-dimethylchromen-4-one?
3-(4-aminophenyl)-6,7-dimethylchromen-4-one has a molecular weight of 265.31 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-6,7-dimethylchromen-4-one is sourced from PubChem (CID 119106347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).