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

C20H18FNO2 — CID 22612151

IUPAC1-[2-(4-fluorophenoxy)-3-pyridinyl]-3-phenylpropan-1-ol
SMILESOC(CCc1ccccc1)c1cccnc1Oc1ccc(F)cc1
InChIInChI=1S/C20H18FNO2/c21-16-9-11-17(12-10-16)24-20-18(7-4-14-22-20)19(23)13-8-15-5-2-1-3-6-15/h1-7,9-12,14,19,23H,8,13H2
InChIKeyPWMYZENCKRLZSE-UHFFFAOYSA-N
MW323.37 g/mol
LogP4.68
Rot. Bonds6

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

1-[2-(4-fluorophenoxy)-3-pyridinyl]-3-phenylpropan-1-ol (PubChem CID 22612151) has the molecular formula C20H18FNO2 and a molecular weight of 323.37 g/mol. Its IUPAC name is 1-[2-(4-fluorophenoxy)-3-pyridinyl]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name1-[2-(4-fluorophenoxy)-3-pyridinyl]-3-phenylpropan-1-ol
PubChem CID22612151
Molecular FormulaC20H18FNO2
Molecular Weight323.37 g/mol
Exact Mass323.13
IUPAC Name1-[2-(4-fluorophenoxy)-3-pyridinyl]-3-phenylpropan-1-ol
SMILESOC(CCc1ccccc1)c1cccnc1Oc1ccc(F)cc1
InChIInChI=1S/C20H18FNO2/c21-16-9-11-17(12-10-16)24-20-18(7-4-14-22-20)19(23)13-8-15-5-2-1-3-6-15/h1-7,9-12,14,19,23H,8,13H2
InChIKeyPWMYZENCKRLZSE-UHFFFAOYSA-N
XLogP4.68
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenoxy)-3-pyridinyl]-3-phenylpropan-1-ol?
The IUPAC name of 1-[2-(4-fluorophenoxy)-3-pyridinyl]-3-phenylpropan-1-ol (CID 22612151) is 1-[2-(4-fluorophenoxy)-3-pyridinyl]-3-phenylpropan-1-ol.
What is the SMILES notation for 1-[2-(4-fluorophenoxy)-3-pyridinyl]-3-phenylpropan-1-ol?
The canonical SMILES for 1-[2-(4-fluorophenoxy)-3-pyridinyl]-3-phenylpropan-1-ol is OC(CCc1ccccc1)c1cccnc1Oc1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenoxy)-3-pyridinyl]-3-phenylpropan-1-ol?
The InChIKey is PWMYZENCKRLZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO2/c21-16-9-11-17(12-10-16)24-20-18(7-4-14-22-20)19(23)13-8-15-5-2-1-3-6-15/h1-7,9-12,14,19,23H,8,13H2.
What are the key properties of 1-[2-(4-fluorophenoxy)-3-pyridinyl]-3-phenylpropan-1-ol?
1-[2-(4-fluorophenoxy)-3-pyridinyl]-3-phenylpropan-1-ol has a molecular weight of 323.37 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenoxy)-3-pyridinyl]-3-phenylpropan-1-ol is sourced from PubChem (CID 22612151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).