3-(2-ethoxyphenoxy)-7-hydroxy-2-(trifluoromethyl)chromen-4-one

C18H13F3O5 — CID 5449307

IUPAC3-(2-ethoxyphenoxy)-7-hydroxy-2-(trifluoromethyl)chromen-4-one
SMILESCCOc1ccccc1Oc1c(C(F)(F)F)oc2cc(O)ccc2c1=O
InChIInChI=1S/C18H13F3O5/c1-2-24-12-5-3-4-6-13(12)25-16-15(23)11-8-7-10(22)9-14(11)26-17(16)18(19,20)21/h3-9,22H,2H2,1H3
InChIKeyHXUMLKHADLLMBY-UHFFFAOYSA-N
MW366.29 g/mol
LogP4.71
Rot. Bonds4

About 3-(2-ethoxyphenoxy)-7-hydroxy-2-(trifluoromethyl)chromen-4-one

3-(2-ethoxyphenoxy)-7-hydroxy-2-(trifluoromethyl)chromen-4-one (PubChem CID 5449307) has the molecular formula C18H13F3O5 and a molecular weight of 366.29 g/mol. Its IUPAC name is 3-(2-ethoxyphenoxy)-7-hydroxy-2-(trifluoromethyl)chromen-4-one.

Molecular Properties

Compound Name3-(2-ethoxyphenoxy)-7-hydroxy-2-(trifluoromethyl)chromen-4-one
PubChem CID5449307
Molecular FormulaC18H13F3O5
Molecular Weight366.29 g/mol
Exact Mass366.07
IUPAC Name3-(2-ethoxyphenoxy)-7-hydroxy-2-(trifluoromethyl)chromen-4-one
SMILESCCOc1ccccc1Oc1c(C(F)(F)F)oc2cc(O)ccc2c1=O
InChIInChI=1S/C18H13F3O5/c1-2-24-12-5-3-4-6-13(12)25-16-15(23)11-8-7-10(22)9-14(11)26-17(16)18(19,20)21/h3-9,22H,2H2,1H3
InChIKeyHXUMLKHADLLMBY-UHFFFAOYSA-N
XLogP4.71
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[3-(2-ethoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxypropanoate
CID 110275221
3-(3-ethoxy-4-hydroxyphenyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one
CID 86714338
[3-(2-ethoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-chloro-2-phenylacetate
CID 110274436
7-hydroxy-3-[4-(4-methylphenyl)phenoxy]-2-(trifluoromethyl)chromen-4-one
CID 7140127
7-butoxy-3-phenoxy-2-(trifluoromethyl)chromen-4-one
CID 2315896
3-(2-ethoxyphenoxy)-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-7-hydroxy-2-(trifluoromethyl)chromen-4-one
CID 95399451
7-methoxy-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-4-one
CID 1193474
3-(2-fluorophenoxy)-7-hydroxy-2-methylchromen-4-one
CID 5408610
3-(2-bromophenoxy)-7-[(4-bromophenyl)methoxy]-2-(trifluoromethyl)chromen-4-one
CID 95398752
[3-(2-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-fluorobenzoate
CID 2002161
3-(2-ethoxyphenoxy)-2-methyl-7-[(2-methylphenyl)methoxy]chromen-4-one
CID 2022720
7-methoxy-3-phenoxy-2-(trifluoromethyl)chromen-4-one
CID 746340

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenoxy)-7-hydroxy-2-(trifluoromethyl)chromen-4-one?
The IUPAC name of 3-(2-ethoxyphenoxy)-7-hydroxy-2-(trifluoromethyl)chromen-4-one (CID 5449307) is 3-(2-ethoxyphenoxy)-7-hydroxy-2-(trifluoromethyl)chromen-4-one.
What is the SMILES notation for 3-(2-ethoxyphenoxy)-7-hydroxy-2-(trifluoromethyl)chromen-4-one?
The canonical SMILES for 3-(2-ethoxyphenoxy)-7-hydroxy-2-(trifluoromethyl)chromen-4-one is CCOc1ccccc1Oc1c(C(F)(F)F)oc2cc(O)ccc2c1=O.
What is the InChIKey of 3-(2-ethoxyphenoxy)-7-hydroxy-2-(trifluoromethyl)chromen-4-one?
The InChIKey is HXUMLKHADLLMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3O5/c1-2-24-12-5-3-4-6-13(12)25-16-15(23)11-8-7-10(22)9-14(11)26-17(16)18(19,20)21/h3-9,22H,2H2,1H3.
What are the key properties of 3-(2-ethoxyphenoxy)-7-hydroxy-2-(trifluoromethyl)chromen-4-one?
3-(2-ethoxyphenoxy)-7-hydroxy-2-(trifluoromethyl)chromen-4-one has a molecular weight of 366.29 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenoxy)-7-hydroxy-2-(trifluoromethyl)chromen-4-one is sourced from PubChem (CID 5449307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).