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

C17H11F3O4 — CID 746340

IUPAC7-methoxy-3-phenoxy-2-(trifluoromethyl)chromen-4-one
SMILESCOc1ccc2c(=O)c(Oc3ccccc3)c(C(F)(F)F)oc2c1
InChIInChI=1S/C17H11F3O4/c1-22-11-7-8-12-13(9-11)24-16(17(18,19)20)15(14(12)21)23-10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyJILUHHJIYWCZAF-UHFFFAOYSA-N
MW336.27 g/mol
LogP4.61
Rot. Bonds3

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

7-methoxy-3-phenoxy-2-(trifluoromethyl)chromen-4-one (PubChem CID 746340) has the molecular formula C17H11F3O4 and a molecular weight of 336.27 g/mol. Its IUPAC name is 7-methoxy-3-phenoxy-2-(trifluoromethyl)chromen-4-one.

Molecular Properties

Compound Name7-methoxy-3-phenoxy-2-(trifluoromethyl)chromen-4-one
PubChem CID746340
Molecular FormulaC17H11F3O4
Molecular Weight336.27 g/mol
Exact Mass336.06
IUPAC Name7-methoxy-3-phenoxy-2-(trifluoromethyl)chromen-4-one
SMILESCOc1ccc2c(=O)c(Oc3ccccc3)c(C(F)(F)F)oc2c1
InChIInChI=1S/C17H11F3O4/c1-22-11-7-8-12-13(9-11)24-16(17(18,19)20)15(14(12)21)23-10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyJILUHHJIYWCZAF-UHFFFAOYSA-N
XLogP4.61
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-3-(4-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-4-one
CID 2406943
7-butoxy-3-phenoxy-2-(trifluoromethyl)chromen-4-one
CID 2315896
[3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] N,N-diphenylcarbamate
CID 2044143
7-methoxy-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-4-one
CID 1193474
7-methoxy-3-phenyl-2-(trifluoromethyl)chromen-4-one
CID 746442
[4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] 2-aminopropanoate
CID 21204102
3-[4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-7-yl]oxypropanoic acid
CID 20989867
[3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3,4-dimethoxybenzoate
CID 2023175
[3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] morpholine-4-carboxylate
CID 1034256
2-[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetic acid
CID 7140143
(2R)-2-[3-(4-tert-butylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxypropanoic acid
CID 7140147
methyl 4-[7-[2-(4-methoxyphenyl)-2-oxoethoxy]-4-oxo-2-(trifluoromethyl)chromen-3-yl]oxybenzoate
CID 95398738

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-phenoxy-2-(trifluoromethyl)chromen-4-one?
The IUPAC name of 7-methoxy-3-phenoxy-2-(trifluoromethyl)chromen-4-one (CID 746340) is 7-methoxy-3-phenoxy-2-(trifluoromethyl)chromen-4-one.
What is the SMILES notation for 7-methoxy-3-phenoxy-2-(trifluoromethyl)chromen-4-one?
The canonical SMILES for 7-methoxy-3-phenoxy-2-(trifluoromethyl)chromen-4-one is COc1ccc2c(=O)c(Oc3ccccc3)c(C(F)(F)F)oc2c1.
What is the InChIKey of 7-methoxy-3-phenoxy-2-(trifluoromethyl)chromen-4-one?
The InChIKey is JILUHHJIYWCZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3O4/c1-22-11-7-8-12-13(9-11)24-16(17(18,19)20)15(14(12)21)23-10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of 7-methoxy-3-phenoxy-2-(trifluoromethyl)chromen-4-one?
7-methoxy-3-phenoxy-2-(trifluoromethyl)chromen-4-one has a molecular weight of 336.27 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-phenoxy-2-(trifluoromethyl)chromen-4-one is sourced from PubChem (CID 746340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).