(3R)-1-(dibenzofuran-2-ylmethyl)-5-(2-fluoro-6-methoxyphenyl)-3-hydroxypyrrolidin-2-one

C24H20FNO4 — CID 118731957

IUPAC(3R)-1-(dibenzofuran-2-ylmethyl)-5-(2-fluoro-6-methoxyphenyl)-3-hydroxypyrrolidin-2-one
SMILESCOc1cccc(F)c1C1C[C@@H](O)C(=O)N1Cc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C24H20FNO4/c1-29-22-8-4-6-17(25)23(22)18-12-19(27)24(28)26(18)13-14-9-10-21-16(11-14)15-5-2-3-7-20(15)30-21/h2-11,18-19,27H,12-13H2,1H3/t18?,19-/m1/s1
InChIKeyWPUHSUHTXPVKAB-MUMRKEEXSA-N
MW405.43 g/mol
LogP4.57
Rot. Bonds4

About (3R)-1-(dibenzofuran-2-ylmethyl)-5-(2-fluoro-6-methoxyphenyl)-3-hydroxypyrrolidin-2-one

(3R)-1-(dibenzofuran-2-ylmethyl)-5-(2-fluoro-6-methoxyphenyl)-3-hydroxypyrrolidin-2-one (PubChem CID 118731957) has the molecular formula C24H20FNO4 and a molecular weight of 405.43 g/mol. Its IUPAC name is (3R)-1-(dibenzofuran-2-ylmethyl)-5-(2-fluoro-6-methoxyphenyl)-3-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-1-(dibenzofuran-2-ylmethyl)-5-(2-fluoro-6-methoxyphenyl)-3-hydroxypyrrolidin-2-one
PubChem CID118731957
Molecular FormulaC24H20FNO4
Molecular Weight405.43 g/mol
Exact Mass405.14
IUPAC Name(3R)-1-(dibenzofuran-2-ylmethyl)-5-(2-fluoro-6-methoxyphenyl)-3-hydroxypyrrolidin-2-one
SMILESCOc1cccc(F)c1C1C[C@@H](O)C(=O)N1Cc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C24H20FNO4/c1-29-22-8-4-6-17(25)23(22)18-12-19(27)24(28)26(18)13-14-9-10-21-16(11-14)15-5-2-3-7-20(15)30-21/h2-11,18-19,27H,12-13H2,1H3/t18?,19-/m1/s1
InChIKeyWPUHSUHTXPVKAB-MUMRKEEXSA-N
XLogP4.57
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(dibenzofuran-2-ylmethyl)-5-(2-fluoro-6-methoxyphenyl)-3-hydroxypyrrolidin-2-one?
The IUPAC name of (3R)-1-(dibenzofuran-2-ylmethyl)-5-(2-fluoro-6-methoxyphenyl)-3-hydroxypyrrolidin-2-one (CID 118731957) is (3R)-1-(dibenzofuran-2-ylmethyl)-5-(2-fluoro-6-methoxyphenyl)-3-hydroxypyrrolidin-2-one.
What is the SMILES notation for (3R)-1-(dibenzofuran-2-ylmethyl)-5-(2-fluoro-6-methoxyphenyl)-3-hydroxypyrrolidin-2-one?
The canonical SMILES for (3R)-1-(dibenzofuran-2-ylmethyl)-5-(2-fluoro-6-methoxyphenyl)-3-hydroxypyrrolidin-2-one is COc1cccc(F)c1C1C[C@@H](O)C(=O)N1Cc1ccc2oc3ccccc3c2c1.
What is the InChIKey of (3R)-1-(dibenzofuran-2-ylmethyl)-5-(2-fluoro-6-methoxyphenyl)-3-hydroxypyrrolidin-2-one?
The InChIKey is WPUHSUHTXPVKAB-MUMRKEEXSA-N. The full InChI is InChI=1S/C24H20FNO4/c1-29-22-8-4-6-17(25)23(22)18-12-19(27)24(28)26(18)13-14-9-10-21-16(11-14)15-5-2-3-7-20(15)30-21/h2-11,18-19,27H,12-13H2,1H3/t18?,19-/m1/s1.
What are the key properties of (3R)-1-(dibenzofuran-2-ylmethyl)-5-(2-fluoro-6-methoxyphenyl)-3-hydroxypyrrolidin-2-one?
(3R)-1-(dibenzofuran-2-ylmethyl)-5-(2-fluoro-6-methoxyphenyl)-3-hydroxypyrrolidin-2-one has a molecular weight of 405.43 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(dibenzofuran-2-ylmethyl)-5-(2-fluoro-6-methoxyphenyl)-3-hydroxypyrrolidin-2-one is sourced from PubChem (CID 118731957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).