8-[(2R)-2,3-dihydroxypropoxy]-1-fluoro-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one

C21H19FO5 — CID 66835137

IUPAC8-[(2R)-2,3-dihydroxypropoxy]-1-fluoro-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one
SMILESCC1(C)c2cc(OC[C@H](O)CO)ccc2C(=O)c2c1oc1cccc(F)c21
InChIInChI=1S/C21H19FO5/c1-21(2)14-8-12(26-10-11(24)9-23)6-7-13(14)19(25)18-17-15(22)4-3-5-16(17)27-20(18)21/h3-8,11,23-24H,9-10H2,1-2H3/t11-/m1/s1
InChIKeyYGZHFHOMEJTLJH-LLVKDONJSA-N
MW370.38 g/mol
LogP3.17
Rot. Bonds4

About 8-[(2R)-2,3-dihydroxypropoxy]-1-fluoro-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one

8-[(2R)-2,3-dihydroxypropoxy]-1-fluoro-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one (PubChem CID 66835137) has the molecular formula C21H19FO5 and a molecular weight of 370.38 g/mol. Its IUPAC name is 8-[(2R)-2,3-dihydroxypropoxy]-1-fluoro-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one.

Molecular Properties

Compound Name8-[(2R)-2,3-dihydroxypropoxy]-1-fluoro-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one
PubChem CID66835137
Molecular FormulaC21H19FO5
Molecular Weight370.38 g/mol
Exact Mass370.12
IUPAC Name8-[(2R)-2,3-dihydroxypropoxy]-1-fluoro-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one
SMILESCC1(C)c2cc(OC[C@H](O)CO)ccc2C(=O)c2c1oc1cccc(F)c21
InChIInChI=1S/C21H19FO5/c1-21(2)14-8-12(26-10-11(24)9-23)6-7-13(14)19(25)18-17-15(22)4-3-5-16(17)27-20(18)21/h3-8,11,23-24H,9-10H2,1-2H3/t11-/m1/s1
InChIKeyYGZHFHOMEJTLJH-LLVKDONJSA-N
XLogP3.17
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(2R)-2,3-dihydroxypropoxy]-1-fluoro-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one?
The IUPAC name of 8-[(2R)-2,3-dihydroxypropoxy]-1-fluoro-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one (CID 66835137) is 8-[(2R)-2,3-dihydroxypropoxy]-1-fluoro-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one.
What is the SMILES notation for 8-[(2R)-2,3-dihydroxypropoxy]-1-fluoro-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one?
The canonical SMILES for 8-[(2R)-2,3-dihydroxypropoxy]-1-fluoro-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one is CC1(C)c2cc(OC[C@H](O)CO)ccc2C(=O)c2c1oc1cccc(F)c21.
What is the InChIKey of 8-[(2R)-2,3-dihydroxypropoxy]-1-fluoro-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one?
The InChIKey is YGZHFHOMEJTLJH-LLVKDONJSA-N. The full InChI is InChI=1S/C21H19FO5/c1-21(2)14-8-12(26-10-11(24)9-23)6-7-13(14)19(25)18-17-15(22)4-3-5-16(17)27-20(18)21/h3-8,11,23-24H,9-10H2,1-2H3/t11-/m1/s1.
What are the key properties of 8-[(2R)-2,3-dihydroxypropoxy]-1-fluoro-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one?
8-[(2R)-2,3-dihydroxypropoxy]-1-fluoro-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one has a molecular weight of 370.38 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2R)-2,3-dihydroxypropoxy]-1-fluoro-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one is sourced from PubChem (CID 66835137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).