3-[4-(dimethylamino)phenyl]chromen-2-one

C17H15NO2 — CID 54580332

IUPAC3-[4-(dimethylamino)phenyl]chromen-2-one
SMILESCN(C)c1ccc(-c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C17H15NO2/c1-18(2)14-9-7-12(8-10-14)15-11-13-5-3-4-6-16(13)20-17(15)19/h3-11H,1-2H3
InChIKeyDUFHCSYCAHQYIS-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.53
Rot. Bonds2

About 3-[4-(dimethylamino)phenyl]chromen-2-one

3-[4-(dimethylamino)phenyl]chromen-2-one (PubChem CID 54580332) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]chromen-2-one.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]chromen-2-one
PubChem CID54580332
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name3-[4-(dimethylamino)phenyl]chromen-2-one
SMILESCN(C)c1ccc(-c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C17H15NO2/c1-18(2)14-9-7-12(8-10-14)15-11-13-5-3-4-6-16(13)20-17(15)19/h3-11H,1-2H3
InChIKeyDUFHCSYCAHQYIS-UHFFFAOYSA-N
XLogP3.53
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[4-(dimethylamino)phenyl]chromen-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]chromen-2-one?
The IUPAC name of 3-[4-(dimethylamino)phenyl]chromen-2-one (CID 54580332) is 3-[4-(dimethylamino)phenyl]chromen-2-one.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]chromen-2-one?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]chromen-2-one is CN(C)c1ccc(-c2cc3ccccc3oc2=O)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]chromen-2-one?
The InChIKey is DUFHCSYCAHQYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-18(2)14-9-7-12(8-10-14)15-11-13-5-3-4-6-16(13)20-17(15)19/h3-11H,1-2H3.
What are the key properties of 3-[4-(dimethylamino)phenyl]chromen-2-one?
3-[4-(dimethylamino)phenyl]chromen-2-one has a molecular weight of 265.31 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]chromen-2-one is sourced from PubChem (CID 54580332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).