7-ethoxy-5-methyl-3-phenyl-2-(trifluoromethyl)chromen-4-one

C19H15F3O3 — CID 960561

IUPAC7-ethoxy-5-methyl-3-phenyl-2-(trifluoromethyl)chromen-4-one
SMILESCCOc1cc(C)c2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c1
InChIInChI=1S/C19H15F3O3/c1-3-24-13-9-11(2)15-14(10-13)25-18(19(20,21)22)16(17(15)23)12-7-5-4-6-8-12/h4-10H,3H2,1-2H3
InChIKeyYQFJZEMISYVQQF-UHFFFAOYSA-N
MW348.32 g/mol
LogP5.19
Rot. Bonds3

About 7-ethoxy-5-methyl-3-phenyl-2-(trifluoromethyl)chromen-4-one

7-ethoxy-5-methyl-3-phenyl-2-(trifluoromethyl)chromen-4-one (PubChem CID 960561) has the molecular formula C19H15F3O3 and a molecular weight of 348.32 g/mol. Its IUPAC name is 7-ethoxy-5-methyl-3-phenyl-2-(trifluoromethyl)chromen-4-one.

Molecular Properties

Compound Name7-ethoxy-5-methyl-3-phenyl-2-(trifluoromethyl)chromen-4-one
PubChem CID960561
Molecular FormulaC19H15F3O3
Molecular Weight348.32 g/mol
Exact Mass348.10
IUPAC Name7-ethoxy-5-methyl-3-phenyl-2-(trifluoromethyl)chromen-4-one
SMILESCCOc1cc(C)c2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c1
InChIInChI=1S/C19H15F3O3/c1-3-24-13-9-11(2)15-14(10-13)25-18(19(20,21)22)16(17(15)23)12-7-5-4-6-8-12/h4-10H,3H2,1-2H3
InChIKeyYQFJZEMISYVQQF-UHFFFAOYSA-N
XLogP5.19
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.32
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-5-methyl-3-phenyl-2-(trifluoromethyl)chromen-4-one?
The IUPAC name of 7-ethoxy-5-methyl-3-phenyl-2-(trifluoromethyl)chromen-4-one (CID 960561) is 7-ethoxy-5-methyl-3-phenyl-2-(trifluoromethyl)chromen-4-one.
What is the SMILES notation for 7-ethoxy-5-methyl-3-phenyl-2-(trifluoromethyl)chromen-4-one?
The canonical SMILES for 7-ethoxy-5-methyl-3-phenyl-2-(trifluoromethyl)chromen-4-one is CCOc1cc(C)c2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c1.
What is the InChIKey of 7-ethoxy-5-methyl-3-phenyl-2-(trifluoromethyl)chromen-4-one?
The InChIKey is YQFJZEMISYVQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3O3/c1-3-24-13-9-11(2)15-14(10-13)25-18(19(20,21)22)16(17(15)23)12-7-5-4-6-8-12/h4-10H,3H2,1-2H3.
What are the key properties of 7-ethoxy-5-methyl-3-phenyl-2-(trifluoromethyl)chromen-4-one?
7-ethoxy-5-methyl-3-phenyl-2-(trifluoromethyl)chromen-4-one has a molecular weight of 348.32 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-5-methyl-3-phenyl-2-(trifluoromethyl)chromen-4-one is sourced from PubChem (CID 960561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).