4-(2,4-dimethylanilino)chromen-2-one

C17H15NO2 — CID 804471

IUPAC4-(2,4-dimethylanilino)chromen-2-one
SMILESCc1ccc(Nc2cc(=O)oc3ccccc23)c(C)c1
InChIInChI=1S/C17H15NO2/c1-11-7-8-14(12(2)9-11)18-15-10-17(19)20-16-6-4-3-5-13(15)16/h3-10,18H,1-2H3
InChIKeyMBBFCIIEPBBDQP-UHFFFAOYSA-N
MW265.31 g/mol
LogP4.15
Rot. Bonds2

About 4-(2,4-dimethylanilino)chromen-2-one

4-(2,4-dimethylanilino)chromen-2-one (PubChem CID 804471) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-(2,4-dimethylanilino)chromen-2-one.

Molecular Properties

Compound Name4-(2,4-dimethylanilino)chromen-2-one
PubChem CID804471
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name4-(2,4-dimethylanilino)chromen-2-one
SMILESCc1ccc(Nc2cc(=O)oc3ccccc23)c(C)c1
InChIInChI=1S/C17H15NO2/c1-11-7-8-14(12(2)9-11)18-15-10-17(19)20-16-6-4-3-5-13(15)16/h3-10,18H,1-2H3
InChIKeyMBBFCIIEPBBDQP-UHFFFAOYSA-N
XLogP4.15
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 54.15
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-(2,4-dimethylanilino)chromen-2-one?
The IUPAC name of 4-(2,4-dimethylanilino)chromen-2-one (CID 804471) is 4-(2,4-dimethylanilino)chromen-2-one.
What is the SMILES notation for 4-(2,4-dimethylanilino)chromen-2-one?
The canonical SMILES for 4-(2,4-dimethylanilino)chromen-2-one is Cc1ccc(Nc2cc(=O)oc3ccccc23)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylanilino)chromen-2-one?
The InChIKey is MBBFCIIEPBBDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-11-7-8-14(12(2)9-11)18-15-10-17(19)20-16-6-4-3-5-13(15)16/h3-10,18H,1-2H3.
What are the key properties of 4-(2,4-dimethylanilino)chromen-2-one?
4-(2,4-dimethylanilino)chromen-2-one has a molecular weight of 265.31 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylanilino)chromen-2-one is sourced from PubChem (CID 804471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).