6-[4-(dimethylamino)phenyl]-5,7-dimethyl-4-phenylchromen-2-one

C25H23NO2 — CID 6540209

IUPAC6-[4-(dimethylamino)phenyl]-5,7-dimethyl-4-phenylchromen-2-one
SMILESCc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccc(N(C)C)cc1
InChIInChI=1S/C25H23NO2/c1-16-14-22-25(21(15-23(27)28-22)18-8-6-5-7-9-18)17(2)24(16)19-10-12-20(13-11-19)26(3)4/h5-15H,1-4H3
InChIKeyFNJFNHDFRWFODW-UHFFFAOYSA-N
MW369.46 g/mol
LogP5.81
Rot. Bonds3

About 6-[4-(dimethylamino)phenyl]-5,7-dimethyl-4-phenylchromen-2-one

6-[4-(dimethylamino)phenyl]-5,7-dimethyl-4-phenylchromen-2-one (PubChem CID 6540209) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is 6-[4-(dimethylamino)phenyl]-5,7-dimethyl-4-phenylchromen-2-one.

Molecular Properties

Compound Name6-[4-(dimethylamino)phenyl]-5,7-dimethyl-4-phenylchromen-2-one
PubChem CID6540209
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC Name6-[4-(dimethylamino)phenyl]-5,7-dimethyl-4-phenylchromen-2-one
SMILESCc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccc(N(C)C)cc1
InChIInChI=1S/C25H23NO2/c1-16-14-22-25(21(15-23(27)28-22)18-8-6-5-7-9-18)17(2)24(16)19-10-12-20(13-11-19)26(3)4/h5-15H,1-4H3
InChIKeyFNJFNHDFRWFODW-UHFFFAOYSA-N
XLogP5.81
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[4-(dimethylamino)phenyl]-5,7-dimethyl-4-phenylchromen-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 6-[4-(dimethylamino)phenyl]-5,7-dimethyl-4-phenylchromen-2-one?
The IUPAC name of 6-[4-(dimethylamino)phenyl]-5,7-dimethyl-4-phenylchromen-2-one (CID 6540209) is 6-[4-(dimethylamino)phenyl]-5,7-dimethyl-4-phenylchromen-2-one.
What is the SMILES notation for 6-[4-(dimethylamino)phenyl]-5,7-dimethyl-4-phenylchromen-2-one?
The canonical SMILES for 6-[4-(dimethylamino)phenyl]-5,7-dimethyl-4-phenylchromen-2-one is Cc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccc(N(C)C)cc1.
What is the InChIKey of 6-[4-(dimethylamino)phenyl]-5,7-dimethyl-4-phenylchromen-2-one?
The InChIKey is FNJFNHDFRWFODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO2/c1-16-14-22-25(21(15-23(27)28-22)18-8-6-5-7-9-18)17(2)24(16)19-10-12-20(13-11-19)26(3)4/h5-15H,1-4H3.
What are the key properties of 6-[4-(dimethylamino)phenyl]-5,7-dimethyl-4-phenylchromen-2-one?
6-[4-(dimethylamino)phenyl]-5,7-dimethyl-4-phenylchromen-2-one has a molecular weight of 369.46 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)phenyl]-5,7-dimethyl-4-phenylchromen-2-one is sourced from PubChem (CID 6540209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).