8-methoxy-6,6-dimethyl-3-(trifluoromethyl)naphtho[3,2-b][1]benzofuran-11-one

C20H15F3O3 — CID 163857285

IUPAC8-methoxy-6,6-dimethyl-3-(trifluoromethyl)naphtho[3,2-b][1]benzofuran-11-one
SMILESCOc1ccc2c(c1)C(C)(C)c1oc3cc(C(F)(F)F)ccc3c1C2=O
InChIInChI=1S/C20H15F3O3/c1-19(2)14-9-11(25-3)5-7-12(14)17(24)16-13-6-4-10(20(21,22)23)8-15(13)26-18(16)19/h4-9H,1-3H3
InChIKeyOZJVZQLBXBCDKH-UHFFFAOYSA-N
MW360.33 g/mol
LogP5.33
Rot. Bonds1

About 8-methoxy-6,6-dimethyl-3-(trifluoromethyl)naphtho[3,2-b][1]benzofuran-11-one

8-methoxy-6,6-dimethyl-3-(trifluoromethyl)naphtho[3,2-b][1]benzofuran-11-one (PubChem CID 163857285) has the molecular formula C20H15F3O3 and a molecular weight of 360.33 g/mol. Its IUPAC name is 8-methoxy-6,6-dimethyl-3-(trifluoromethyl)naphtho[3,2-b][1]benzofuran-11-one.

Molecular Properties

Compound Name8-methoxy-6,6-dimethyl-3-(trifluoromethyl)naphtho[3,2-b][1]benzofuran-11-one
PubChem CID163857285
Molecular FormulaC20H15F3O3
Molecular Weight360.33 g/mol
Exact Mass360.10
IUPAC Name8-methoxy-6,6-dimethyl-3-(trifluoromethyl)naphtho[3,2-b][1]benzofuran-11-one
SMILESCOc1ccc2c(c1)C(C)(C)c1oc3cc(C(F)(F)F)ccc3c1C2=O
InChIInChI=1S/C20H15F3O3/c1-19(2)14-9-11(25-3)5-7-12(14)17(24)16-13-6-4-10(20(21,22)23)8-15(13)26-18(16)19/h4-9H,1-3H3
InChIKeyOZJVZQLBXBCDKH-UHFFFAOYSA-N
XLogP5.33
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.33
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-6,6-dimethyl-3-(trifluoromethyl)naphtho[3,2-b][1]benzofuran-11-one?
The IUPAC name of 8-methoxy-6,6-dimethyl-3-(trifluoromethyl)naphtho[3,2-b][1]benzofuran-11-one (CID 163857285) is 8-methoxy-6,6-dimethyl-3-(trifluoromethyl)naphtho[3,2-b][1]benzofuran-11-one.
What is the SMILES notation for 8-methoxy-6,6-dimethyl-3-(trifluoromethyl)naphtho[3,2-b][1]benzofuran-11-one?
The canonical SMILES for 8-methoxy-6,6-dimethyl-3-(trifluoromethyl)naphtho[3,2-b][1]benzofuran-11-one is COc1ccc2c(c1)C(C)(C)c1oc3cc(C(F)(F)F)ccc3c1C2=O.
What is the InChIKey of 8-methoxy-6,6-dimethyl-3-(trifluoromethyl)naphtho[3,2-b][1]benzofuran-11-one?
The InChIKey is OZJVZQLBXBCDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3O3/c1-19(2)14-9-11(25-3)5-7-12(14)17(24)16-13-6-4-10(20(21,22)23)8-15(13)26-18(16)19/h4-9H,1-3H3.
What are the key properties of 8-methoxy-6,6-dimethyl-3-(trifluoromethyl)naphtho[3,2-b][1]benzofuran-11-one?
8-methoxy-6,6-dimethyl-3-(trifluoromethyl)naphtho[3,2-b][1]benzofuran-11-one has a molecular weight of 360.33 g/mol, XLogP of 5.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-6,6-dimethyl-3-(trifluoromethyl)naphtho[3,2-b][1]benzofuran-11-one is sourced from PubChem (CID 163857285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).