1-(4-fluorophenoxy)-3-quinolin-2-ylpropan-2-ol

C18H16FNO2 — CID 166010606

IUPAC1-(4-fluorophenoxy)-3-quinolin-2-ylpropan-2-ol
SMILESOC(COc1ccc(F)cc1)Cc1ccc2ccccc2n1
InChIInChI=1S/C18H16FNO2/c19-14-6-9-17(10-7-14)22-12-16(21)11-15-8-5-13-3-1-2-4-18(13)20-15/h1-10,16,21H,11-12H2
InChIKeyWPEJFVNMWSVMEN-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.36
Rot. Bonds5

About 1-(4-fluorophenoxy)-3-quinolin-2-ylpropan-2-ol

1-(4-fluorophenoxy)-3-quinolin-2-ylpropan-2-ol (PubChem CID 166010606) has the molecular formula C18H16FNO2 and a molecular weight of 297.33 g/mol. Its IUPAC name is 1-(4-fluorophenoxy)-3-quinolin-2-ylpropan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenoxy)-3-quinolin-2-ylpropan-2-ol
PubChem CID166010606
Molecular FormulaC18H16FNO2
Molecular Weight297.33 g/mol
Exact Mass297.12
IUPAC Name1-(4-fluorophenoxy)-3-quinolin-2-ylpropan-2-ol
SMILESOC(COc1ccc(F)cc1)Cc1ccc2ccccc2n1
InChIInChI=1S/C18H16FNO2/c19-14-6-9-17(10-7-14)22-12-16(21)11-15-8-5-13-3-1-2-4-18(13)20-15/h1-10,16,21H,11-12H2
InChIKeyWPEJFVNMWSVMEN-UHFFFAOYSA-N
XLogP3.36
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-2-quinolin-2-ylethanamine
CID 43118778
4-fluoro-2-[4-(quinolin-2-ylmethoxy)phenyl]phenol
CID 67026414
(1R)-1-phenyl-2-quinolin-2-ylethanol
CID 92849987
(2S)-1-(2-ethylbenzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol
CID 34363876
3-ethyl-3-methoxy-1-quinolin-2-ylpentan-2-ol
CID 116752757
1-(4-fluorophenoxy)-3-methoxypropan-2-ol
CID 86691234
1-(4-fluorophenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol
CID 138960724
1-(4-fluorophenyl)-3-phenyl-4-quinolin-2-ylbutan-1-one
CID 52937193
1-(oxolan-3-yl)-3-quinolin-2-ylpropan-2-ol
CID 103986478
(2R)-1-(4-fluorophenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
CID 42108813
1-(4-fluorophenoxy)-4-methylpentan-2-ol
CID 117241745
1-cyclopropyl-2-quinolin-2-ylethanol
CID 63353009

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenoxy)-3-quinolin-2-ylpropan-2-ol?
The IUPAC name of 1-(4-fluorophenoxy)-3-quinolin-2-ylpropan-2-ol (CID 166010606) is 1-(4-fluorophenoxy)-3-quinolin-2-ylpropan-2-ol.
What is the SMILES notation for 1-(4-fluorophenoxy)-3-quinolin-2-ylpropan-2-ol?
The canonical SMILES for 1-(4-fluorophenoxy)-3-quinolin-2-ylpropan-2-ol is OC(COc1ccc(F)cc1)Cc1ccc2ccccc2n1.
What is the InChIKey of 1-(4-fluorophenoxy)-3-quinolin-2-ylpropan-2-ol?
The InChIKey is WPEJFVNMWSVMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO2/c19-14-6-9-17(10-7-14)22-12-16(21)11-15-8-5-13-3-1-2-4-18(13)20-15/h1-10,16,21H,11-12H2.
What are the key properties of 1-(4-fluorophenoxy)-3-quinolin-2-ylpropan-2-ol?
1-(4-fluorophenoxy)-3-quinolin-2-ylpropan-2-ol has a molecular weight of 297.33 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenoxy)-3-quinolin-2-ylpropan-2-ol is sourced from PubChem (CID 166010606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).