(2R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropan-1-one

C20H16FNO4 — CID 71722102

IUPAC(2R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropan-1-one
SMILESO=C(c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)[C@H](O)CO
InChIInChI=1S/C20H16FNO4/c21-14-6-10-16(11-7-14)26-15-8-4-13(5-9-15)17-2-1-3-18(22-17)20(25)19(24)12-23/h1-11,19,23-24H,12H2/t19-/m1/s1
InChIKeyDXYMJRXFBLAWFS-LJQANCHMSA-N
MW353.35 g/mol
LogP3.22
Rot. Bonds6

About (2R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropan-1-one

(2R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropan-1-one (PubChem CID 71722102) has the molecular formula C20H16FNO4 and a molecular weight of 353.35 g/mol. Its IUPAC name is (2R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropan-1-one.

Molecular Properties

Compound Name(2R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropan-1-one
PubChem CID71722102
Molecular FormulaC20H16FNO4
Molecular Weight353.35 g/mol
Exact Mass353.11
IUPAC Name(2R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropan-1-one
SMILESO=C(c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)[C@H](O)CO
InChIInChI=1S/C20H16FNO4/c21-14-6-10-16(11-7-14)26-15-8-4-13(5-9-15)17-2-1-3-18(22-17)20(25)19(24)12-23/h1-11,19,23-24H,12H2/t19-/m1/s1
InChIKeyDXYMJRXFBLAWFS-LJQANCHMSA-N
XLogP3.22
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropan-1-one?
The IUPAC name of (2R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropan-1-one (CID 71722102) is (2R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropan-1-one.
What is the SMILES notation for (2R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropan-1-one?
The canonical SMILES for (2R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropan-1-one is O=C(c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)[C@H](O)CO.
What is the InChIKey of (2R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropan-1-one?
The InChIKey is DXYMJRXFBLAWFS-LJQANCHMSA-N. The full InChI is InChI=1S/C20H16FNO4/c21-14-6-10-16(11-7-14)26-15-8-4-13(5-9-15)17-2-1-3-18(22-17)20(25)19(24)12-23/h1-11,19,23-24H,12H2/t19-/m1/s1.
What are the key properties of (2R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropan-1-one?
(2R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropan-1-one has a molecular weight of 353.35 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropan-1-one is sourced from PubChem (CID 71722102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).