7-(N-phenylanilino)chromen-2-one

C21H15NO2 — CID 21439543

IUPAC7-(N-phenylanilino)chromen-2-one
SMILESO=c1ccc2ccc(N(c3ccccc3)c3ccccc3)cc2o1
InChIInChI=1S/C21H15NO2/c23-21-14-12-16-11-13-19(15-20(16)24-21)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15H
InChIKeyUQBMYVKKPGKAAN-UHFFFAOYSA-N
MW313.36 g/mol
LogP5.26
Rot. Bonds3

About 7-(N-phenylanilino)chromen-2-one

7-(N-phenylanilino)chromen-2-one (PubChem CID 21439543) has the molecular formula C21H15NO2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 7-(N-phenylanilino)chromen-2-one.

Molecular Properties

Compound Name7-(N-phenylanilino)chromen-2-one
PubChem CID21439543
Molecular FormulaC21H15NO2
Molecular Weight313.36 g/mol
Exact Mass313.11
IUPAC Name7-(N-phenylanilino)chromen-2-one
SMILESO=c1ccc2ccc(N(c3ccccc3)c3ccccc3)cc2o1
InChIInChI=1S/C21H15NO2/c23-21-14-12-16-11-13-19(15-20(16)24-21)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15H
InChIKeyUQBMYVKKPGKAAN-UHFFFAOYSA-N
XLogP5.26
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.36
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(N-phenylanilino)chromen-2-one?
The IUPAC name of 7-(N-phenylanilino)chromen-2-one (CID 21439543) is 7-(N-phenylanilino)chromen-2-one.
What is the SMILES notation for 7-(N-phenylanilino)chromen-2-one?
The canonical SMILES for 7-(N-phenylanilino)chromen-2-one is O=c1ccc2ccc(N(c3ccccc3)c3ccccc3)cc2o1.
What is the InChIKey of 7-(N-phenylanilino)chromen-2-one?
The InChIKey is UQBMYVKKPGKAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO2/c23-21-14-12-16-11-13-19(15-20(16)24-21)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15H.
What are the key properties of 7-(N-phenylanilino)chromen-2-one?
7-(N-phenylanilino)chromen-2-one has a molecular weight of 313.36 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(N-phenylanilino)chromen-2-one is sourced from PubChem (CID 21439543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).