7-(naphthalen-2-ylmethoxy)-4-(trifluoromethyl)chromen-2-one

C21H13F3O3 — CID 155663368

IUPAC7-(naphthalen-2-ylmethoxy)-4-(trifluoromethyl)chromen-2-one
SMILESO=c1cc(C(F)(F)F)c2ccc(OCc3ccc4ccccc4c3)cc2o1
InChIInChI=1S/C21H13F3O3/c22-21(23,24)18-11-20(25)27-19-10-16(7-8-17(18)19)26-12-13-5-6-14-3-1-2-4-15(14)9-13/h1-11H,12H2
InChIKeyPVJXUNMFRZSUPO-UHFFFAOYSA-N
MW370.33 g/mol
LogP5.54
Rot. Bonds3

About 7-(naphthalen-2-ylmethoxy)-4-(trifluoromethyl)chromen-2-one

7-(naphthalen-2-ylmethoxy)-4-(trifluoromethyl)chromen-2-one (PubChem CID 155663368) has the molecular formula C21H13F3O3 and a molecular weight of 370.33 g/mol. Its IUPAC name is 7-(naphthalen-2-ylmethoxy)-4-(trifluoromethyl)chromen-2-one.

Molecular Properties

Compound Name7-(naphthalen-2-ylmethoxy)-4-(trifluoromethyl)chromen-2-one
PubChem CID155663368
Molecular FormulaC21H13F3O3
Molecular Weight370.33 g/mol
Exact Mass370.08
IUPAC Name7-(naphthalen-2-ylmethoxy)-4-(trifluoromethyl)chromen-2-one
SMILESO=c1cc(C(F)(F)F)c2ccc(OCc3ccc4ccccc4c3)cc2o1
InChIInChI=1S/C21H13F3O3/c22-21(23,24)18-11-20(25)27-19-10-16(7-8-17(18)19)26-12-13-5-6-14-3-1-2-4-15(14)9-13/h1-11H,12H2
InChIKeyPVJXUNMFRZSUPO-UHFFFAOYSA-N
XLogP5.54
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.33
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(naphthalen-2-ylmethoxy)-4-(trifluoromethyl)chromen-2-one?
The IUPAC name of 7-(naphthalen-2-ylmethoxy)-4-(trifluoromethyl)chromen-2-one (CID 155663368) is 7-(naphthalen-2-ylmethoxy)-4-(trifluoromethyl)chromen-2-one.
What is the SMILES notation for 7-(naphthalen-2-ylmethoxy)-4-(trifluoromethyl)chromen-2-one?
The canonical SMILES for 7-(naphthalen-2-ylmethoxy)-4-(trifluoromethyl)chromen-2-one is O=c1cc(C(F)(F)F)c2ccc(OCc3ccc4ccccc4c3)cc2o1.
What is the InChIKey of 7-(naphthalen-2-ylmethoxy)-4-(trifluoromethyl)chromen-2-one?
The InChIKey is PVJXUNMFRZSUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3O3/c22-21(23,24)18-11-20(25)27-19-10-16(7-8-17(18)19)26-12-13-5-6-14-3-1-2-4-15(14)9-13/h1-11H,12H2.
What are the key properties of 7-(naphthalen-2-ylmethoxy)-4-(trifluoromethyl)chromen-2-one?
7-(naphthalen-2-ylmethoxy)-4-(trifluoromethyl)chromen-2-one has a molecular weight of 370.33 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(naphthalen-2-ylmethoxy)-4-(trifluoromethyl)chromen-2-one is sourced from PubChem (CID 155663368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).