5,7-dimethyl-4-phenyl-6-[4-(trifluoromethoxy)phenyl]chromen-2-one

C24H17F3O3 — CID 6540220

IUPAC5,7-dimethyl-4-phenyl-6-[4-(trifluoromethoxy)phenyl]chromen-2-one
SMILESCc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C24H17F3O3/c1-14-12-20-23(19(13-21(28)29-20)16-6-4-3-5-7-16)15(2)22(14)17-8-10-18(11-9-17)30-24(25,26)27/h3-13H,1-2H3
InChIKeyFOJQZFLJSXPPEG-UHFFFAOYSA-N
MW410.39 g/mol
LogP6.64
Rot. Bonds3

About 5,7-dimethyl-4-phenyl-6-[4-(trifluoromethoxy)phenyl]chromen-2-one

5,7-dimethyl-4-phenyl-6-[4-(trifluoromethoxy)phenyl]chromen-2-one (PubChem CID 6540220) has the molecular formula C24H17F3O3 and a molecular weight of 410.39 g/mol. Its IUPAC name is 5,7-dimethyl-4-phenyl-6-[4-(trifluoromethoxy)phenyl]chromen-2-one.

Molecular Properties

Compound Name5,7-dimethyl-4-phenyl-6-[4-(trifluoromethoxy)phenyl]chromen-2-one
PubChem CID6540220
Molecular FormulaC24H17F3O3
Molecular Weight410.39 g/mol
Exact Mass410.11
IUPAC Name5,7-dimethyl-4-phenyl-6-[4-(trifluoromethoxy)phenyl]chromen-2-one
SMILESCc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C24H17F3O3/c1-14-12-20-23(19(13-21(28)29-20)16-6-4-3-5-7-16)15(2)22(14)17-8-10-18(11-9-17)30-24(25,26)27/h3-13H,1-2H3
InChIKeyFOJQZFLJSXPPEG-UHFFFAOYSA-N
XLogP6.64
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.39
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5,7-dimethyl-4-phenyl-6-[4-(trifluoromethoxy)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 5,7-dimethyl-4-phenyl-6-[4-(trifluoromethoxy)phenyl]chromen-2-one?
The IUPAC name of 5,7-dimethyl-4-phenyl-6-[4-(trifluoromethoxy)phenyl]chromen-2-one (CID 6540220) is 5,7-dimethyl-4-phenyl-6-[4-(trifluoromethoxy)phenyl]chromen-2-one.
What is the SMILES notation for 5,7-dimethyl-4-phenyl-6-[4-(trifluoromethoxy)phenyl]chromen-2-one?
The canonical SMILES for 5,7-dimethyl-4-phenyl-6-[4-(trifluoromethoxy)phenyl]chromen-2-one is Cc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 5,7-dimethyl-4-phenyl-6-[4-(trifluoromethoxy)phenyl]chromen-2-one?
The InChIKey is FOJQZFLJSXPPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3O3/c1-14-12-20-23(19(13-21(28)29-20)16-6-4-3-5-7-16)15(2)22(14)17-8-10-18(11-9-17)30-24(25,26)27/h3-13H,1-2H3.
What are the key properties of 5,7-dimethyl-4-phenyl-6-[4-(trifluoromethoxy)phenyl]chromen-2-one?
5,7-dimethyl-4-phenyl-6-[4-(trifluoromethoxy)phenyl]chromen-2-one has a molecular weight of 410.39 g/mol, XLogP of 6.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-4-phenyl-6-[4-(trifluoromethoxy)phenyl]chromen-2-one is sourced from PubChem (CID 6540220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).