4-(2-phenylethylamino)chromen-2-one

C17H15NO2 — CID 3159821

IUPAC4-(2-phenylethylamino)chromen-2-one
SMILESO=c1cc(NCCc2ccccc2)c2ccccc2o1
InChIInChI=1S/C17H15NO2/c19-17-12-15(14-8-4-5-9-16(14)20-17)18-11-10-13-6-2-1-3-7-13/h1-9,12,18H,10-11H2
InChIKeyBWZATJSVMMHRIQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.45
Rot. Bonds4

About 4-(2-phenylethylamino)chromen-2-one

4-(2-phenylethylamino)chromen-2-one (PubChem CID 3159821) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-(2-phenylethylamino)chromen-2-one.

Molecular Properties

Compound Name4-(2-phenylethylamino)chromen-2-one
PubChem CID3159821
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name4-(2-phenylethylamino)chromen-2-one
SMILESO=c1cc(NCCc2ccccc2)c2ccccc2o1
InChIInChI=1S/C17H15NO2/c19-17-12-15(14-8-4-5-9-16(14)20-17)18-11-10-13-6-2-1-3-7-13/h1-9,12,18H,10-11H2
InChIKeyBWZATJSVMMHRIQ-UHFFFAOYSA-N
XLogP3.45
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.45
H-Bond Donors ≤ 51
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 4-(2-phenylethylamino)chromen-2-one?
The IUPAC name of 4-(2-phenylethylamino)chromen-2-one (CID 3159821) is 4-(2-phenylethylamino)chromen-2-one.
What is the SMILES notation for 4-(2-phenylethylamino)chromen-2-one?
The canonical SMILES for 4-(2-phenylethylamino)chromen-2-one is O=c1cc(NCCc2ccccc2)c2ccccc2o1.
What is the InChIKey of 4-(2-phenylethylamino)chromen-2-one?
The InChIKey is BWZATJSVMMHRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c19-17-12-15(14-8-4-5-9-16(14)20-17)18-11-10-13-6-2-1-3-7-13/h1-9,12,18H,10-11H2.
What are the key properties of 4-(2-phenylethylamino)chromen-2-one?
4-(2-phenylethylamino)chromen-2-one has a molecular weight of 265.31 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethylamino)chromen-2-one is sourced from PubChem (CID 3159821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).