4-[4-(3-fluorophenyl)phenoxy]-4-pyridin-3-ylbutan-2-ol

C21H20FNO2 — CID 70279581

IUPAC4-[4-(3-fluorophenyl)phenoxy]-4-pyridin-3-ylbutan-2-ol
SMILESCC(O)CC(Oc1ccc(-c2cccc(F)c2)cc1)c1cccnc1
InChIInChI=1S/C21H20FNO2/c1-15(24)12-21(18-5-3-11-23-14-18)25-20-9-7-16(8-10-20)17-4-2-6-19(22)13-17/h2-11,13-15,21,24H,12H2,1H3
InChIKeyDLCCWAXMWLDDNC-UHFFFAOYSA-N
MW337.39 g/mol
LogP4.78
Rot. Bonds6

About 4-[4-(3-fluorophenyl)phenoxy]-4-pyridin-3-ylbutan-2-ol

4-[4-(3-fluorophenyl)phenoxy]-4-pyridin-3-ylbutan-2-ol (PubChem CID 70279581) has the molecular formula C21H20FNO2 and a molecular weight of 337.39 g/mol. Its IUPAC name is 4-[4-(3-fluorophenyl)phenoxy]-4-pyridin-3-ylbutan-2-ol.

Molecular Properties

Compound Name4-[4-(3-fluorophenyl)phenoxy]-4-pyridin-3-ylbutan-2-ol
PubChem CID70279581
Molecular FormulaC21H20FNO2
Molecular Weight337.39 g/mol
Exact Mass337.15
IUPAC Name4-[4-(3-fluorophenyl)phenoxy]-4-pyridin-3-ylbutan-2-ol
SMILESCC(O)CC(Oc1ccc(-c2cccc(F)c2)cc1)c1cccnc1
InChIInChI=1S/C21H20FNO2/c1-15(24)12-21(18-5-3-11-23-14-18)25-20-9-7-16(8-10-20)17-4-2-6-19(22)13-17/h2-11,13-15,21,24H,12H2,1H3
InChIKeyDLCCWAXMWLDDNC-UHFFFAOYSA-N
XLogP4.78
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Bisacodyl
CID 2391
4-(2-(3-(Cyclopentyloxy)-4-methoxyphenyl)-2-phenylethyl)pyridine
CID 127928
CT 1730; GR 259653X
CID 89809670
3-{[(1E)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]methyl}pyridine
CID 6539771
(3-Pyridylmethylene)tetrahydronaphthalene 13b
CID 6539772
(3-Pyridylmethylene)indane 19a
CID 6539773
3-{[(1Z)-5-ethoxy-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539774
3-(6-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine
CID 6540049
3-(7-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine
CID 6540057
3-(6-Ethoxynaphthalen-2-yl)pyridine
CID 11557864
6-(3-Fluoro-4-methoxyphenyl)-1-(pyridin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 25033731
(R)-4-(3-(4-((3-Fluorophenyl)(hydroxy)(pyridin-2-yl)methyl)piperidin-1-yl)propoxy)benzonitrile
CID 71777738

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-fluorophenyl)phenoxy]-4-pyridin-3-ylbutan-2-ol?
The IUPAC name of 4-[4-(3-fluorophenyl)phenoxy]-4-pyridin-3-ylbutan-2-ol (CID 70279581) is 4-[4-(3-fluorophenyl)phenoxy]-4-pyridin-3-ylbutan-2-ol.
What is the SMILES notation for 4-[4-(3-fluorophenyl)phenoxy]-4-pyridin-3-ylbutan-2-ol?
The canonical SMILES for 4-[4-(3-fluorophenyl)phenoxy]-4-pyridin-3-ylbutan-2-ol is CC(O)CC(Oc1ccc(-c2cccc(F)c2)cc1)c1cccnc1.
What is the InChIKey of 4-[4-(3-fluorophenyl)phenoxy]-4-pyridin-3-ylbutan-2-ol?
The InChIKey is DLCCWAXMWLDDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO2/c1-15(24)12-21(18-5-3-11-23-14-18)25-20-9-7-16(8-10-20)17-4-2-6-19(22)13-17/h2-11,13-15,21,24H,12H2,1H3.
What are the key properties of 4-[4-(3-fluorophenyl)phenoxy]-4-pyridin-3-ylbutan-2-ol?
4-[4-(3-fluorophenyl)phenoxy]-4-pyridin-3-ylbutan-2-ol has a molecular weight of 337.39 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-fluorophenyl)phenoxy]-4-pyridin-3-ylbutan-2-ol is sourced from PubChem (CID 70279581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).