2-(4-aminophenyl)-4H-chromen-3-one

C15H13NO2 — CID 70503368

IUPAC2-(4-aminophenyl)-4H-chromen-3-one
SMILESNc1ccc(C2Oc3ccccc3CC2=O)cc1
InChIInChI=1S/C15H13NO2/c16-12-7-5-10(6-8-12)15-13(17)9-11-3-1-2-4-14(11)18-15/h1-8,15H,9,16H2
InChIKeyFOPHXJHXTIQFQO-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.51
Rot. Bonds1

About 2-(4-aminophenyl)-4H-chromen-3-one

2-(4-aminophenyl)-4H-chromen-3-one (PubChem CID 70503368) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-(4-aminophenyl)-4H-chromen-3-one.

Molecular Properties

Compound Name2-(4-aminophenyl)-4H-chromen-3-one
PubChem CID70503368
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name2-(4-aminophenyl)-4H-chromen-3-one
SMILESNc1ccc(C2Oc3ccccc3CC2=O)cc1
InChIInChI=1S/C15H13NO2/c16-12-7-5-10(6-8-12)15-13(17)9-11-3-1-2-4-14(11)18-15/h1-8,15H,9,16H2
InChIKeyFOPHXJHXTIQFQO-UHFFFAOYSA-N
XLogP2.51
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-aminophenyl)-4H-chromen-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,5-dihydroxyphenyl)-4H-chromen-3-one
CID 146216391
2-[4-(trifluoromethylsulfonyl)phenyl]-4H-chromen-3-one
CID 67424419
2-(3-methylphenyl)-4H-chromen-3-one
CID 70545875
2-amino-4H-chromen-3-one
CID 154487259
(2S)-7-hydroxy-2-phenyl-4H-chromen-3-one
CID 70979390
(2S)-2-methyl-4H-chromen-3-one
CID 129362501
(2-phenyl-4H-chromen-3-ylidene)hydrazine
CID 66704053
4-(1,3-dihydro-2-benzofuran-1-yl)aniline
CID 70600489
(2R)-2-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-3-one
CID 101023174
4-(3,4-dihydro-1H-isochromen-1-yl)aniline
CID 12943544
potassium 5H-benzo[d][1,3]benzodioxocine-11-carboxylate
CID 23713273
5-(4-aminophenyl)cyclohexane-1,3-dione
CID 51063687

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-4H-chromen-3-one?
The IUPAC name of 2-(4-aminophenyl)-4H-chromen-3-one (CID 70503368) is 2-(4-aminophenyl)-4H-chromen-3-one.
What is the SMILES notation for 2-(4-aminophenyl)-4H-chromen-3-one?
The canonical SMILES for 2-(4-aminophenyl)-4H-chromen-3-one is Nc1ccc(C2Oc3ccccc3CC2=O)cc1.
What is the InChIKey of 2-(4-aminophenyl)-4H-chromen-3-one?
The InChIKey is FOPHXJHXTIQFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c16-12-7-5-10(6-8-12)15-13(17)9-11-3-1-2-4-14(11)18-15/h1-8,15H,9,16H2.
What are the key properties of 2-(4-aminophenyl)-4H-chromen-3-one?
2-(4-aminophenyl)-4H-chromen-3-one has a molecular weight of 239.27 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-4H-chromen-3-one is sourced from PubChem (CID 70503368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).