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

C18H13F3O3 — CID 746451

IUPAC7-methoxy-3-(2-methylphenyl)-2-(trifluoromethyl)chromen-4-one
SMILESCOc1ccc2c(=O)c(-c3ccccc3C)c(C(F)(F)F)oc2c1
InChIInChI=1S/C18H13F3O3/c1-10-5-3-4-6-12(10)15-16(22)13-8-7-11(23-2)9-14(13)24-17(15)18(19,20)21/h3-9H,1-2H3
InChIKeyPSJOYEWKHMBINH-UHFFFAOYSA-N
MW334.29 g/mol
LogP4.80
Rot. Bonds2

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

7-methoxy-3-(2-methylphenyl)-2-(trifluoromethyl)chromen-4-one (PubChem CID 746451) has the molecular formula C18H13F3O3 and a molecular weight of 334.29 g/mol. Its IUPAC name is 7-methoxy-3-(2-methylphenyl)-2-(trifluoromethyl)chromen-4-one.

Molecular Properties

Compound Name7-methoxy-3-(2-methylphenyl)-2-(trifluoromethyl)chromen-4-one
PubChem CID746451
Molecular FormulaC18H13F3O3
Molecular Weight334.29 g/mol
Exact Mass334.08
IUPAC Name7-methoxy-3-(2-methylphenyl)-2-(trifluoromethyl)chromen-4-one
SMILESCOc1ccc2c(=O)c(-c3ccccc3C)c(C(F)(F)F)oc2c1
InChIInChI=1S/C18H13F3O3/c1-10-5-3-4-6-12(10)15-16(22)13-8-7-11(23-2)9-14(13)24-17(15)18(19,20)21/h3-9H,1-2H3
InChIKeyPSJOYEWKHMBINH-UHFFFAOYSA-N
XLogP4.80
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-(2-methylphenyl)-2-(trifluoromethyl)chromen-4-one?
The IUPAC name of 7-methoxy-3-(2-methylphenyl)-2-(trifluoromethyl)chromen-4-one (CID 746451) is 7-methoxy-3-(2-methylphenyl)-2-(trifluoromethyl)chromen-4-one.
What is the SMILES notation for 7-methoxy-3-(2-methylphenyl)-2-(trifluoromethyl)chromen-4-one?
The canonical SMILES for 7-methoxy-3-(2-methylphenyl)-2-(trifluoromethyl)chromen-4-one is COc1ccc2c(=O)c(-c3ccccc3C)c(C(F)(F)F)oc2c1.
What is the InChIKey of 7-methoxy-3-(2-methylphenyl)-2-(trifluoromethyl)chromen-4-one?
The InChIKey is PSJOYEWKHMBINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3O3/c1-10-5-3-4-6-12(10)15-16(22)13-8-7-11(23-2)9-14(13)24-17(15)18(19,20)21/h3-9H,1-2H3.
What are the key properties of 7-methoxy-3-(2-methylphenyl)-2-(trifluoromethyl)chromen-4-one?
7-methoxy-3-(2-methylphenyl)-2-(trifluoromethyl)chromen-4-one has a molecular weight of 334.29 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-(2-methylphenyl)-2-(trifluoromethyl)chromen-4-one is sourced from PubChem (CID 746451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).