3-(2-chlorophenyl)-1-[2-(4-fluorophenoxy)-3-pyridinyl]propan-1-ol

C20H17ClFNO2 — CID 22612319

IUPAC3-(2-chlorophenyl)-1-[2-(4-fluorophenoxy)-3-pyridinyl]propan-1-ol
SMILESOC(CCc1ccccc1Cl)c1cccnc1Oc1ccc(F)cc1
InChIInChI=1S/C20H17ClFNO2/c21-18-6-2-1-4-14(18)7-12-19(24)17-5-3-13-23-20(17)25-16-10-8-15(22)9-11-16/h1-6,8-11,13,19,24H,7,12H2
InChIKeySUAUPNHGSFFSBG-UHFFFAOYSA-N
MW357.81 g/mol
LogP5.33
Rot. Bonds6

About 3-(2-chlorophenyl)-1-[2-(4-fluorophenoxy)-3-pyridinyl]propan-1-ol

3-(2-chlorophenyl)-1-[2-(4-fluorophenoxy)-3-pyridinyl]propan-1-ol (PubChem CID 22612319) has the molecular formula C20H17ClFNO2 and a molecular weight of 357.81 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-[2-(4-fluorophenoxy)-3-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-[2-(4-fluorophenoxy)-3-pyridinyl]propan-1-ol
PubChem CID22612319
Molecular FormulaC20H17ClFNO2
Molecular Weight357.81 g/mol
Exact Mass357.09
IUPAC Name3-(2-chlorophenyl)-1-[2-(4-fluorophenoxy)-3-pyridinyl]propan-1-ol
SMILESOC(CCc1ccccc1Cl)c1cccnc1Oc1ccc(F)cc1
InChIInChI=1S/C20H17ClFNO2/c21-18-6-2-1-4-14(18)7-12-19(24)17-5-3-13-23-20(17)25-16-10-8-15(22)9-11-16/h1-6,8-11,13,19,24H,7,12H2
InChIKeySUAUPNHGSFFSBG-UHFFFAOYSA-N
XLogP5.33
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.81
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-[2-(4-fluorophenoxy)-3-pyridinyl]propan-1-ol?
The IUPAC name of 3-(2-chlorophenyl)-1-[2-(4-fluorophenoxy)-3-pyridinyl]propan-1-ol (CID 22612319) is 3-(2-chlorophenyl)-1-[2-(4-fluorophenoxy)-3-pyridinyl]propan-1-ol.
What is the SMILES notation for 3-(2-chlorophenyl)-1-[2-(4-fluorophenoxy)-3-pyridinyl]propan-1-ol?
The canonical SMILES for 3-(2-chlorophenyl)-1-[2-(4-fluorophenoxy)-3-pyridinyl]propan-1-ol is OC(CCc1ccccc1Cl)c1cccnc1Oc1ccc(F)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-1-[2-(4-fluorophenoxy)-3-pyridinyl]propan-1-ol?
The InChIKey is SUAUPNHGSFFSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFNO2/c21-18-6-2-1-4-14(18)7-12-19(24)17-5-3-13-23-20(17)25-16-10-8-15(22)9-11-16/h1-6,8-11,13,19,24H,7,12H2.
What are the key properties of 3-(2-chlorophenyl)-1-[2-(4-fluorophenoxy)-3-pyridinyl]propan-1-ol?
3-(2-chlorophenyl)-1-[2-(4-fluorophenoxy)-3-pyridinyl]propan-1-ol has a molecular weight of 357.81 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-[2-(4-fluorophenoxy)-3-pyridinyl]propan-1-ol is sourced from PubChem (CID 22612319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).