3-fluoro-8-methoxy-6,6-dimethyl-1,11b-dihydronaphtho[3,2-b][1]benzofuran-11-one

C19H17FO3 — CID 134376241

IUPAC3-fluoro-8-methoxy-6,6-dimethyl-1,11b-dihydronaphtho[3,2-b][1]benzofuran-11-one
SMILESCOc1ccc2c(c1)C(C)(C)C1=C(C2=O)C2CC=C(F)C=C2O1
InChIInChI=1S/C19H17FO3/c1-19(2)14-9-11(22-3)5-7-12(14)17(21)16-13-6-4-10(20)8-15(13)23-18(16)19/h4-5,7-9,13H,6H2,1-3H3
InChIKeyVVMYHGXFWVWVOW-UHFFFAOYSA-N
MW312.34 g/mol
LogP4.21
Rot. Bonds1

About 3-fluoro-8-methoxy-6,6-dimethyl-1,11b-dihydronaphtho[3,2-b][1]benzofuran-11-one

3-fluoro-8-methoxy-6,6-dimethyl-1,11b-dihydronaphtho[3,2-b][1]benzofuran-11-one (PubChem CID 134376241) has the molecular formula C19H17FO3 and a molecular weight of 312.34 g/mol. Its IUPAC name is 3-fluoro-8-methoxy-6,6-dimethyl-1,11b-dihydronaphtho[3,2-b][1]benzofuran-11-one.

Molecular Properties

Compound Name3-fluoro-8-methoxy-6,6-dimethyl-1,11b-dihydronaphtho[3,2-b][1]benzofuran-11-one
PubChem CID134376241
Molecular FormulaC19H17FO3
Molecular Weight312.34 g/mol
Exact Mass312.12
IUPAC Name3-fluoro-8-methoxy-6,6-dimethyl-1,11b-dihydronaphtho[3,2-b][1]benzofuran-11-one
SMILESCOc1ccc2c(c1)C(C)(C)C1=C(C2=O)C2CC=C(F)C=C2O1
InChIInChI=1S/C19H17FO3/c1-19(2)14-9-11(22-3)5-7-12(14)17(21)16-13-6-4-10(20)8-15(13)23-18(16)19/h4-5,7-9,13H,6H2,1-3H3
InChIKeyVVMYHGXFWVWVOW-UHFFFAOYSA-N
XLogP4.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-8-methoxy-6,6-dimethyl-1,11b-dihydronaphtho[3,2-b][1]benzofuran-11-one?
The IUPAC name of 3-fluoro-8-methoxy-6,6-dimethyl-1,11b-dihydronaphtho[3,2-b][1]benzofuran-11-one (CID 134376241) is 3-fluoro-8-methoxy-6,6-dimethyl-1,11b-dihydronaphtho[3,2-b][1]benzofuran-11-one.
What is the SMILES notation for 3-fluoro-8-methoxy-6,6-dimethyl-1,11b-dihydronaphtho[3,2-b][1]benzofuran-11-one?
The canonical SMILES for 3-fluoro-8-methoxy-6,6-dimethyl-1,11b-dihydronaphtho[3,2-b][1]benzofuran-11-one is COc1ccc2c(c1)C(C)(C)C1=C(C2=O)C2CC=C(F)C=C2O1.
What is the InChIKey of 3-fluoro-8-methoxy-6,6-dimethyl-1,11b-dihydronaphtho[3,2-b][1]benzofuran-11-one?
The InChIKey is VVMYHGXFWVWVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FO3/c1-19(2)14-9-11(22-3)5-7-12(14)17(21)16-13-6-4-10(20)8-15(13)23-18(16)19/h4-5,7-9,13H,6H2,1-3H3.
What are the key properties of 3-fluoro-8-methoxy-6,6-dimethyl-1,11b-dihydronaphtho[3,2-b][1]benzofuran-11-one?
3-fluoro-8-methoxy-6,6-dimethyl-1,11b-dihydronaphtho[3,2-b][1]benzofuran-11-one has a molecular weight of 312.34 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-8-methoxy-6,6-dimethyl-1,11b-dihydronaphtho[3,2-b][1]benzofuran-11-one is sourced from PubChem (CID 134376241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).