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

C20H17F3O4 — CID 2406943

IUPAC7-methoxy-3-(4-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-4-one
SMILESCOc1ccc2c(=O)c(Oc3ccc(C(C)C)cc3)c(C(F)(F)F)oc2c1
InChIInChI=1S/C20H17F3O4/c1-11(2)12-4-6-13(7-5-12)26-18-17(24)15-9-8-14(25-3)10-16(15)27-19(18)20(21,22)23/h4-11H,1-3H3
InChIKeyLWYOAVYXSNSLAJ-UHFFFAOYSA-N
MW378.35 g/mol
LogP5.74
Rot. Bonds4

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

7-methoxy-3-(4-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-4-one (PubChem CID 2406943) has the molecular formula C20H17F3O4 and a molecular weight of 378.35 g/mol. Its IUPAC name is 7-methoxy-3-(4-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-4-one.

Molecular Properties

Compound Name7-methoxy-3-(4-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-4-one
PubChem CID2406943
Molecular FormulaC20H17F3O4
Molecular Weight378.35 g/mol
Exact Mass378.11
IUPAC Name7-methoxy-3-(4-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-4-one
SMILESCOc1ccc2c(=O)c(Oc3ccc(C(C)C)cc3)c(C(F)(F)F)oc2c1
InChIInChI=1S/C20H17F3O4/c1-11(2)12-4-6-13(7-5-12)26-18-17(24)15-9-8-14(25-3)10-16(15)27-19(18)20(21,22)23/h4-11H,1-3H3
InChIKeyLWYOAVYXSNSLAJ-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-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-4-one
CID 1193474
[3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-(4-chlorophenoxy)propanoate
CID 4066518
methyl 4-[7-(1-methoxy-1-oxopropan-2-yl)oxy-4-oxo-2-(trifluoromethyl)chromen-3-yl]oxybenzoate
CID 110275224
(2R)-2-[3-(4-tert-butylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxypropanoic acid
CID 7140147
[4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] 2-aminopropanoate
CID 21204102
[3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3-(4-propan-2-ylphenyl)prop-2-enoate
CID 3680436
7-butoxy-3-phenoxy-2-(trifluoromethyl)chromen-4-one
CID 2315896
methyl 4-[7-[2-(4-methoxyphenyl)-2-oxoethoxy]-4-oxo-2-(trifluoromethyl)chromen-3-yl]oxybenzoate
CID 95398738
7-methoxy-3-phenyl-2-(trifluoromethyl)chromen-4-one
CID 746442
[3-(2-chlorophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3-(4-propan-2-ylphenyl)prop-2-enoate
CID 4146180
7-hydroxy-3-[4-(4-methylphenyl)phenoxy]-2-(trifluoromethyl)chromen-4-one
CID 7140127

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-(4-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-4-one?
The IUPAC name of 7-methoxy-3-(4-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-4-one (CID 2406943) is 7-methoxy-3-(4-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-4-one.
What is the SMILES notation for 7-methoxy-3-(4-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-4-one?
The canonical SMILES for 7-methoxy-3-(4-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-4-one is COc1ccc2c(=O)c(Oc3ccc(C(C)C)cc3)c(C(F)(F)F)oc2c1.
What is the InChIKey of 7-methoxy-3-(4-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-4-one?
The InChIKey is LWYOAVYXSNSLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3O4/c1-11(2)12-4-6-13(7-5-12)26-18-17(24)15-9-8-14(25-3)10-16(15)27-19(18)20(21,22)23/h4-11H,1-3H3.
What are the key properties of 7-methoxy-3-(4-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-4-one?
7-methoxy-3-(4-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-(4-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-4-one is sourced from PubChem (CID 2406943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).