1-fluoro-4b,9b-dihydroxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one

C18H15FO4 — CID 86716900

IUPAC1-fluoro-4b,9b-dihydroxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one
SMILESCC(C)c1ccc2c(c1)OC1(O)c3cccc(F)c3C(=O)C21O
InChIInChI=1S/C18H15FO4/c1-9(2)10-6-7-11-14(8-10)23-18(22)12-4-3-5-13(19)15(12)16(20)17(11,18)21/h3-9,21-22H,1-2H3
InChIKeyOWBGBJNBDRFJPR-UHFFFAOYSA-N
MW314.31 g/mol
LogP2.57
Rot. Bonds1

About 1-fluoro-4b,9b-dihydroxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one

1-fluoro-4b,9b-dihydroxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one (PubChem CID 86716900) has the molecular formula C18H15FO4 and a molecular weight of 314.31 g/mol. Its IUPAC name is 1-fluoro-4b,9b-dihydroxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one.

Molecular Properties

Compound Name1-fluoro-4b,9b-dihydroxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one
PubChem CID86716900
Molecular FormulaC18H15FO4
Molecular Weight314.31 g/mol
Exact Mass314.10
IUPAC Name1-fluoro-4b,9b-dihydroxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one
SMILESCC(C)c1ccc2c(c1)OC1(O)c3cccc(F)c3C(=O)C21O
InChIInChI=1S/C18H15FO4/c1-9(2)10-6-7-11-14(8-10)23-18(22)12-4-3-5-13(19)15(12)16(20)17(11,18)21/h3-9,21-22H,1-2H3
InChIKeyOWBGBJNBDRFJPR-UHFFFAOYSA-N
XLogP2.57
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4b,9b-dihydroxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one?
The IUPAC name of 1-fluoro-4b,9b-dihydroxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one (CID 86716900) is 1-fluoro-4b,9b-dihydroxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one.
What is the SMILES notation for 1-fluoro-4b,9b-dihydroxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one?
The canonical SMILES for 1-fluoro-4b,9b-dihydroxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one is CC(C)c1ccc2c(c1)OC1(O)c3cccc(F)c3C(=O)C21O.
What is the InChIKey of 1-fluoro-4b,9b-dihydroxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one?
The InChIKey is OWBGBJNBDRFJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FO4/c1-9(2)10-6-7-11-14(8-10)23-18(22)12-4-3-5-13(19)15(12)16(20)17(11,18)21/h3-9,21-22H,1-2H3.
What are the key properties of 1-fluoro-4b,9b-dihydroxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one?
1-fluoro-4b,9b-dihydroxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one has a molecular weight of 314.31 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4b,9b-dihydroxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one is sourced from PubChem (CID 86716900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).