4-(4-ethoxyanilino)chromen-2-one

C17H15NO3 — CID 5009928

IUPAC4-(4-ethoxyanilino)chromen-2-one
SMILESCCOc1ccc(Nc2cc(=O)oc3ccccc23)cc1
InChIInChI=1S/C17H15NO3/c1-2-20-13-9-7-12(8-10-13)18-15-11-17(19)21-16-6-4-3-5-14(15)16/h3-11,18H,2H2,1H3
InChIKeyFGBHRWCFNSYDQU-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.94
Rot. Bonds4

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

4-(4-ethoxyanilino)chromen-2-one (PubChem CID 5009928) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-(4-ethoxyanilino)chromen-2-one.

Molecular Properties

Compound Name4-(4-ethoxyanilino)chromen-2-one
PubChem CID5009928
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name4-(4-ethoxyanilino)chromen-2-one
SMILESCCOc1ccc(Nc2cc(=O)oc3ccccc23)cc1
InChIInChI=1S/C17H15NO3/c1-2-20-13-9-7-12(8-10-13)18-15-11-17(19)21-16-6-4-3-5-14(15)16/h3-11,18H,2H2,1H3
InChIKeyFGBHRWCFNSYDQU-UHFFFAOYSA-N
XLogP3.94
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-ethoxyanilino)chromen-2-one?
The IUPAC name of 4-(4-ethoxyanilino)chromen-2-one (CID 5009928) is 4-(4-ethoxyanilino)chromen-2-one.
What is the SMILES notation for 4-(4-ethoxyanilino)chromen-2-one?
The canonical SMILES for 4-(4-ethoxyanilino)chromen-2-one is CCOc1ccc(Nc2cc(=O)oc3ccccc23)cc1.
What is the InChIKey of 4-(4-ethoxyanilino)chromen-2-one?
The InChIKey is FGBHRWCFNSYDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-2-20-13-9-7-12(8-10-13)18-15-11-17(19)21-16-6-4-3-5-14(15)16/h3-11,18H,2H2,1H3.
What are the key properties of 4-(4-ethoxyanilino)chromen-2-one?
4-(4-ethoxyanilino)chromen-2-one has a molecular weight of 281.31 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyanilino)chromen-2-one is sourced from PubChem (CID 5009928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).