7-methoxy-8-methyl-3-(2-methylphenyl)-2-(trifluoromethyl)chromen-4-one

C19H15F3O3 — CID 746423

IUPAC7-methoxy-8-methyl-3-(2-methylphenyl)-2-(trifluoromethyl)chromen-4-one
SMILESCOc1ccc2c(=O)c(-c3ccccc3C)c(C(F)(F)F)oc2c1C
InChIInChI=1S/C19H15F3O3/c1-10-6-4-5-7-12(10)15-16(23)13-8-9-14(24-3)11(2)17(13)25-18(15)19(20,21)22/h4-9H,1-3H3
InChIKeyZJUTVVRTMDERNE-UHFFFAOYSA-N
MW348.32 g/mol
LogP5.10
Rot. Bonds2

About 7-methoxy-8-methyl-3-(2-methylphenyl)-2-(trifluoromethyl)chromen-4-one

7-methoxy-8-methyl-3-(2-methylphenyl)-2-(trifluoromethyl)chromen-4-one (PubChem CID 746423) has the molecular formula C19H15F3O3 and a molecular weight of 348.32 g/mol. Its IUPAC name is 7-methoxy-8-methyl-3-(2-methylphenyl)-2-(trifluoromethyl)chromen-4-one.

Molecular Properties

Compound Name7-methoxy-8-methyl-3-(2-methylphenyl)-2-(trifluoromethyl)chromen-4-one
PubChem CID746423
Molecular FormulaC19H15F3O3
Molecular Weight348.32 g/mol
Exact Mass348.10
IUPAC Name7-methoxy-8-methyl-3-(2-methylphenyl)-2-(trifluoromethyl)chromen-4-one
SMILESCOc1ccc2c(=O)c(-c3ccccc3C)c(C(F)(F)F)oc2c1C
InChIInChI=1S/C19H15F3O3/c1-10-6-4-5-7-12(10)15-16(23)13-8-9-14(24-3)11(2)17(13)25-18(15)19(20,21)22/h4-9H,1-3H3
InChIKeyZJUTVVRTMDERNE-UHFFFAOYSA-N
XLogP5.10
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.32
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-8-methyl-3-(2-methylphenyl)-2-(trifluoromethyl)chromen-4-one?
The IUPAC name of 7-methoxy-8-methyl-3-(2-methylphenyl)-2-(trifluoromethyl)chromen-4-one (CID 746423) is 7-methoxy-8-methyl-3-(2-methylphenyl)-2-(trifluoromethyl)chromen-4-one.
What is the SMILES notation for 7-methoxy-8-methyl-3-(2-methylphenyl)-2-(trifluoromethyl)chromen-4-one?
The canonical SMILES for 7-methoxy-8-methyl-3-(2-methylphenyl)-2-(trifluoromethyl)chromen-4-one is COc1ccc2c(=O)c(-c3ccccc3C)c(C(F)(F)F)oc2c1C.
What is the InChIKey of 7-methoxy-8-methyl-3-(2-methylphenyl)-2-(trifluoromethyl)chromen-4-one?
The InChIKey is ZJUTVVRTMDERNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3O3/c1-10-6-4-5-7-12(10)15-16(23)13-8-9-14(24-3)11(2)17(13)25-18(15)19(20,21)22/h4-9H,1-3H3.
What are the key properties of 7-methoxy-8-methyl-3-(2-methylphenyl)-2-(trifluoromethyl)chromen-4-one?
7-methoxy-8-methyl-3-(2-methylphenyl)-2-(trifluoromethyl)chromen-4-one has a molecular weight of 348.32 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-8-methyl-3-(2-methylphenyl)-2-(trifluoromethyl)chromen-4-one is sourced from PubChem (CID 746423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).