3-(4-aminophenyl)chromen-4-one

C15H11NO2 — CID 11564931

IUPAC3-(4-aminophenyl)chromen-4-one
SMILESNc1ccc(-c2coc3ccccc3c2=O)cc1
InChIInChI=1S/C15H11NO2/c16-11-7-5-10(6-8-11)13-9-18-14-4-2-1-3-12(14)15(13)17/h1-9H,16H2
InChIKeyVHKSZJQBQMVXMJ-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.04
Rot. Bonds1

About 3-(4-aminophenyl)chromen-4-one

3-(4-aminophenyl)chromen-4-one (PubChem CID 11564931) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-(4-aminophenyl)chromen-4-one.

Molecular Properties

Compound Name3-(4-aminophenyl)chromen-4-one
PubChem CID11564931
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name3-(4-aminophenyl)chromen-4-one
SMILESNc1ccc(-c2coc3ccccc3c2=O)cc1
InChIInChI=1S/C15H11NO2/c16-11-7-5-10(6-8-11)13-9-18-14-4-2-1-3-12(14)15(13)17/h1-9H,16H2
InChIKeyVHKSZJQBQMVXMJ-UHFFFAOYSA-N
XLogP3.04
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Nitrophenyl)-4H-chromen-4-one
CID 622510
3-(4-aminophenyl)-2H-chromen-2-one
CID 310860
2,7-diamino-9H-xanthen-9-one
CID 2770072
2-methoxy-N-(4-methylphenyl)benzamide
CID 780793
6-Aminoflavone
CID 16217320
6-amino-4H-chromen-4-one
CID 19438826
(E)-3-(4-(Dimethylamino)benzylidene)chroman-4-one
CID 6524131
N-(4-ethylphenyl)-4-oxochromene-3-carboxamide
CID 155547187
N-(4-ethenylphenyl)-4-oxochromene-3-carboxamide
CID 155552400
4'-Amino-6-hydroxyflavone
CID 125519
5-Amino-2-(4-aminophenyl)chromen-4-one
CID 10422310
4-oxo-N-phenyl-4H-chromene-3-carboxamide
CID 12654835

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)chromen-4-one?
The IUPAC name of 3-(4-aminophenyl)chromen-4-one (CID 11564931) is 3-(4-aminophenyl)chromen-4-one.
What is the SMILES notation for 3-(4-aminophenyl)chromen-4-one?
The canonical SMILES for 3-(4-aminophenyl)chromen-4-one is Nc1ccc(-c2coc3ccccc3c2=O)cc1.
What is the InChIKey of 3-(4-aminophenyl)chromen-4-one?
The InChIKey is VHKSZJQBQMVXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c16-11-7-5-10(6-8-11)13-9-18-14-4-2-1-3-12(14)15(13)17/h1-9H,16H2.
What are the key properties of 3-(4-aminophenyl)chromen-4-one?
3-(4-aminophenyl)chromen-4-one has a molecular weight of 237.26 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)chromen-4-one is sourced from PubChem (CID 11564931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).