(1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxybutan-2-one

C21H18FNO3 — CID 121354458

IUPAC(1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxybutan-2-one
SMILESCCC(=O)[C@H](O)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C21H18FNO3/c1-2-20(24)21(25)19-5-3-4-18(23-19)14-6-10-16(11-7-14)26-17-12-8-15(22)9-13-17/h3-13,21,25H,2H2,1H3/t21-/m1/s1
InChIKeyIRJWQRPBEBAVPP-OAQYLSRUSA-N
MW351.38 g/mol
LogP4.69
Rot. Bonds6

About (1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxybutan-2-one

(1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxybutan-2-one (PubChem CID 121354458) has the molecular formula C21H18FNO3 and a molecular weight of 351.38 g/mol. Its IUPAC name is (1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxybutan-2-one.

Molecular Properties

Compound Name(1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxybutan-2-one
PubChem CID121354458
Molecular FormulaC21H18FNO3
Molecular Weight351.38 g/mol
Exact Mass351.13
IUPAC Name(1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxybutan-2-one
SMILESCCC(=O)[C@H](O)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C21H18FNO3/c1-2-20(24)21(25)19-5-3-4-18(23-19)14-6-10-16(11-7-14)26-17-12-8-15(22)9-13-17/h3-13,21,25H,2H2,1H3/t21-/m1/s1
InChIKeyIRJWQRPBEBAVPP-OAQYLSRUSA-N
XLogP4.69
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylate
CID 66666760
methyl (2S)-2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methylamino]propanoate
CID 66806428
6-[4-(4-fluorophenoxy)phenyl]pyridin-2-amine
CID 67981445
(1S)-1-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]ethane-1,2-diol
CID 56943275
N-[(2R)-1-amino-3-hydroxy-1-oxopropan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 56643700
(2S,3R)-2,3-dihydroxy-3-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]propanamide
CID 71553523
2-[4-(4-fluorophenoxy)phenyl]-6-[(sulfinoamino)methyl]pyridine
CID 118862523
2-acetamido-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-(1H-imidazol-5-yl)propanamide
CID 67981872
(2S)-2-hydroxy-1-[6-[4-(4-isocyanophenoxy)phenyl]-2-pyridinyl]butan-1-one
CID 157297703
(1R)-1-[2-(1,2-dihydroxyethyl)-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]ethane-1,2-diol
CID 66801770
N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-hydroxy-2-(propan-2-ylcarbamoylamino)propanamide
CID 67981841
1-[2-[4-[6-[(1R)-1-(2,3-dimethylpentan-2-yloxy)propyl]-2-pyridinyl]phenoxy]-5-fluorophenyl]-2,2,2-trifluoroethanone
CID 144717353

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxybutan-2-one?
The IUPAC name of (1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxybutan-2-one (CID 121354458) is (1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxybutan-2-one.
What is the SMILES notation for (1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxybutan-2-one?
The canonical SMILES for (1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxybutan-2-one is CCC(=O)[C@H](O)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of (1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxybutan-2-one?
The InChIKey is IRJWQRPBEBAVPP-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H18FNO3/c1-2-20(24)21(25)19-5-3-4-18(23-19)14-6-10-16(11-7-14)26-17-12-8-15(22)9-13-17/h3-13,21,25H,2H2,1H3/t21-/m1/s1.
What are the key properties of (1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxybutan-2-one?
(1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxybutan-2-one has a molecular weight of 351.38 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxybutan-2-one is sourced from PubChem (CID 121354458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).