7-methoxy-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-4-one

C20H17F3O4 — CID 1193474

IUPAC7-methoxy-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-4-one
SMILESCOc1ccc2c(=O)c(Oc3ccccc3C(C)C)c(C(F)(F)F)oc2c1
InChIInChI=1S/C20H17F3O4/c1-11(2)13-6-4-5-7-15(13)26-18-17(24)14-9-8-12(25-3)10-16(14)27-19(18)20(21,22)23/h4-11H,1-3H3
InChIKeyRGWBWDCTIAQUIX-UHFFFAOYSA-N
MW378.35 g/mol
LogP5.74
Rot. Bonds4

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

7-methoxy-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-4-one (PubChem CID 1193474) has the molecular formula C20H17F3O4 and a molecular weight of 378.35 g/mol. Its IUPAC name is 7-methoxy-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-4-one.

Molecular Properties

Compound Name7-methoxy-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-4-one
PubChem CID1193474
Molecular FormulaC20H17F3O4
Molecular Weight378.35 g/mol
Exact Mass378.11
IUPAC Name7-methoxy-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-4-one
SMILESCOc1ccc2c(=O)c(Oc3ccccc3C(C)C)c(C(F)(F)F)oc2c1
InChIInChI=1S/C20H17F3O4/c1-11(2)13-6-4-5-7-15(13)26-18-17(24)14-9-8-12(25-3)10-16(14)27-19(18)20(21,22)23/h4-11H,1-3H3
InChIKeyRGWBWDCTIAQUIX-UHFFFAOYSA-N
XLogP5.74
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.35
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-3-phenoxy-2-(trifluoromethyl)chromen-4-one
CID 746340
7-methoxy-3-(4-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-4-one
CID 2406943
methyl 2-[3-(2-ethoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxypropanoate
CID 110275221
7-methoxy-3-phenyl-2-(trifluoromethyl)chromen-4-one
CID 746442
[3-(2-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-fluorobenzoate
CID 2002161
methyl 2-[3-(2,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxypropanoate
CID 2955939
[3-(2-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] thiophene-2-carboxylate
CID 2002963
[4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] 2-aminopropanoate
CID 21204102
2-[3-(2-tert-butyl-4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetic acid
CID 7895914
3-(2-ethoxyphenoxy)-7-hydroxy-2-(trifluoromethyl)chromen-4-one
CID 5449307
[3-(2-chlorophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3-(4-propan-2-ylphenyl)prop-2-enoate
CID 4146180
[3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] N,N-diphenylcarbamate
CID 2044143

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-4-one?
The IUPAC name of 7-methoxy-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-4-one (CID 1193474) is 7-methoxy-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-4-one.
What is the SMILES notation for 7-methoxy-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-4-one?
The canonical SMILES for 7-methoxy-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-4-one is COc1ccc2c(=O)c(Oc3ccccc3C(C)C)c(C(F)(F)F)oc2c1.
What is the InChIKey of 7-methoxy-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-4-one?
The InChIKey is RGWBWDCTIAQUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3O4/c1-11(2)13-6-4-5-7-15(13)26-18-17(24)14-9-8-12(25-3)10-16(14)27-19(18)20(21,22)23/h4-11H,1-3H3.
What are the key properties of 7-methoxy-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-4-one?
7-methoxy-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-4-one has a molecular weight of 378.35 g/mol, XLogP of 5.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-4-one is sourced from PubChem (CID 1193474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).