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

C18H12F4O4 — CID 1326489

IUPAC3-(4-fluorophenoxy)-7-methoxy-8-methyl-2-(trifluoromethyl)chromen-4-one
SMILESCOc1ccc2c(=O)c(Oc3ccc(F)cc3)c(C(F)(F)F)oc2c1C
InChIInChI=1S/C18H12F4O4/c1-9-13(24-2)8-7-12-14(23)16(17(18(20,21)22)26-15(9)12)25-11-5-3-10(19)4-6-11/h3-8H,1-2H3
InChIKeyPKHHCJREYFDCFB-UHFFFAOYSA-N
MW368.28 g/mol
LogP5.06
Rot. Bonds3

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

3-(4-fluorophenoxy)-7-methoxy-8-methyl-2-(trifluoromethyl)chromen-4-one (PubChem CID 1326489) has the molecular formula C18H12F4O4 and a molecular weight of 368.28 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-7-methoxy-8-methyl-2-(trifluoromethyl)chromen-4-one.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-7-methoxy-8-methyl-2-(trifluoromethyl)chromen-4-one
PubChem CID1326489
Molecular FormulaC18H12F4O4
Molecular Weight368.28 g/mol
Exact Mass368.07
IUPAC Name3-(4-fluorophenoxy)-7-methoxy-8-methyl-2-(trifluoromethyl)chromen-4-one
SMILESCOc1ccc2c(=O)c(Oc3ccc(F)cc3)c(C(F)(F)F)oc2c1C
InChIInChI=1S/C18H12F4O4/c1-9-13(24-2)8-7-12-14(23)16(17(18(20,21)22)26-15(9)12)25-11-5-3-10(19)4-6-11/h3-8H,1-2H3
InChIKeyPKHHCJREYFDCFB-UHFFFAOYSA-N
XLogP5.06
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.28
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-iodophenoxy)-8-methyl-4-oxo-2-(trifluoromethyl)chromen-7-yl] acetate
CID 1386919
[8-methyl-3-(4-nitrophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2,4-dinitrobenzoate
CID 4073369
7-methoxy-3-phenoxy-2-(trifluoromethyl)chromen-4-one
CID 746340
[3-(2-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-fluorobenzoate
CID 2002161
7-methoxy-8-methyl-4-(trifluoromethyl)chromen-2-one
CID 881569
methyl 4-[7-(4-fluorobenzoyl)oxy-4-oxo-2-(trifluoromethyl)chromen-3-yl]oxybenzoate
CID 2017757
[8-methyl-3-(4-nitrophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-chloro-3-nitrobenzoate
CID 2311362
7-methoxy-3-(4-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-4-one
CID 2406943
methyl 4-[[9-[(4-fluorophenyl)methyl]-4-oxo-2-(trifluoromethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-3-yl]oxy]benzoate
CID 95397345
[3-(4-ethoxycarbonylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3,4-dimethoxybenzoate
CID 95397751
8-[(dimethylamino)methyl]-7-methoxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)chromen-4-one
CID 4609653
7-hydroxy-3-(4-methoxyphenoxy)-8-(2-methylpropyl)-2-(trifluoromethyl)chromen-4-one;2-hydroxy-2-oxoacetate
CID 78577500

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-7-methoxy-8-methyl-2-(trifluoromethyl)chromen-4-one?
The IUPAC name of 3-(4-fluorophenoxy)-7-methoxy-8-methyl-2-(trifluoromethyl)chromen-4-one (CID 1326489) is 3-(4-fluorophenoxy)-7-methoxy-8-methyl-2-(trifluoromethyl)chromen-4-one.
What is the SMILES notation for 3-(4-fluorophenoxy)-7-methoxy-8-methyl-2-(trifluoromethyl)chromen-4-one?
The canonical SMILES for 3-(4-fluorophenoxy)-7-methoxy-8-methyl-2-(trifluoromethyl)chromen-4-one is COc1ccc2c(=O)c(Oc3ccc(F)cc3)c(C(F)(F)F)oc2c1C.
What is the InChIKey of 3-(4-fluorophenoxy)-7-methoxy-8-methyl-2-(trifluoromethyl)chromen-4-one?
The InChIKey is PKHHCJREYFDCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4O4/c1-9-13(24-2)8-7-12-14(23)16(17(18(20,21)22)26-15(9)12)25-11-5-3-10(19)4-6-11/h3-8H,1-2H3.
What are the key properties of 3-(4-fluorophenoxy)-7-methoxy-8-methyl-2-(trifluoromethyl)chromen-4-one?
3-(4-fluorophenoxy)-7-methoxy-8-methyl-2-(trifluoromethyl)chromen-4-one has a molecular weight of 368.28 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-7-methoxy-8-methyl-2-(trifluoromethyl)chromen-4-one is sourced from PubChem (CID 1326489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).