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

C17H11F3O3 — CID 746442

IUPAC7-methoxy-3-phenyl-2-(trifluoromethyl)chromen-4-one
SMILESCOc1ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c1
InChIInChI=1S/C17H11F3O3/c1-22-11-7-8-12-13(9-11)23-16(17(18,19)20)14(15(12)21)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyYWEKTSYTGAHIFD-UHFFFAOYSA-N
MW320.27 g/mol
LogP4.49
Rot. Bonds2

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

7-methoxy-3-phenyl-2-(trifluoromethyl)chromen-4-one (PubChem CID 746442) has the molecular formula C17H11F3O3 and a molecular weight of 320.27 g/mol. Its IUPAC name is 7-methoxy-3-phenyl-2-(trifluoromethyl)chromen-4-one.

Molecular Properties

Compound Name7-methoxy-3-phenyl-2-(trifluoromethyl)chromen-4-one
PubChem CID746442
Molecular FormulaC17H11F3O3
Molecular Weight320.27 g/mol
Exact Mass320.07
IUPAC Name7-methoxy-3-phenyl-2-(trifluoromethyl)chromen-4-one
SMILESCOc1ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c1
InChIInChI=1S/C17H11F3O3/c1-22-11-7-8-12-13(9-11)23-16(17(18,19)20)14(15(12)21)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyYWEKTSYTGAHIFD-UHFFFAOYSA-N
XLogP4.49
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl] 3-methoxybenzoate
CID 2044468
7-methoxy-3-phenoxy-2-(trifluoromethyl)chromen-4-one
CID 746340
4-[4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl]oxybutanoic acid
CID 20989366
[4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl] cyclopropanecarboxylate
CID 2036381
7-[(4-bromophenyl)methoxy]-3-phenyl-2-(trifluoromethyl)chromen-4-one
CID 3572340
2-[3-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxy-N-(2-phenylethyl)acetamide
CID 2476232
7-[2-hydroxy-2-(propan-2-ylamino)propoxy]-3-phenyl-2-(trifluoromethyl)chromen-4-one
CID 70448638
7-methoxy-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-4-one
CID 1193474
prop-2-enyl 2-[4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl]oxyacetate
CID 3396308
3-amino-7-methoxy-2-phenylchromen-4-one
CID 101481005
[3-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 1,3-benzodioxole-5-carboxylate
CID 2024782
6-methoxy-2-methyl-3-phenyl-1-benzofuran
CID 3448866

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-phenyl-2-(trifluoromethyl)chromen-4-one?
The IUPAC name of 7-methoxy-3-phenyl-2-(trifluoromethyl)chromen-4-one (CID 746442) is 7-methoxy-3-phenyl-2-(trifluoromethyl)chromen-4-one.
What is the SMILES notation for 7-methoxy-3-phenyl-2-(trifluoromethyl)chromen-4-one?
The canonical SMILES for 7-methoxy-3-phenyl-2-(trifluoromethyl)chromen-4-one is COc1ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c1.
What is the InChIKey of 7-methoxy-3-phenyl-2-(trifluoromethyl)chromen-4-one?
The InChIKey is YWEKTSYTGAHIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3O3/c1-22-11-7-8-12-13(9-11)23-16(17(18,19)20)14(15(12)21)10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of 7-methoxy-3-phenyl-2-(trifluoromethyl)chromen-4-one?
7-methoxy-3-phenyl-2-(trifluoromethyl)chromen-4-one has a molecular weight of 320.27 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-phenyl-2-(trifluoromethyl)chromen-4-one is sourced from PubChem (CID 746442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).