3-[[2-[2-(3-fluorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]propan-1-ol

C17H18FNO2 — CID 54364282

IUPAC3-[[2-[2-(3-fluorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]propan-1-ol
SMILESCc1ccc(OCCCO)c(C=Cc2cccc(F)c2)n1
InChIInChI=1S/C17H18FNO2/c1-13-6-9-17(21-11-3-10-20)16(19-13)8-7-14-4-2-5-15(18)12-14/h2,4-9,12,20H,3,10-11H2,1H3
InChIKeyUORLYHVPJNPHCM-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.46
Rot. Bonds6

About 3-[[2-[2-(3-fluorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]propan-1-ol

3-[[2-[2-(3-fluorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]propan-1-ol (PubChem CID 54364282) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 3-[[2-[2-(3-fluorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]propan-1-ol.

Molecular Properties

Compound Name3-[[2-[2-(3-fluorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]propan-1-ol
PubChem CID54364282
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name3-[[2-[2-(3-fluorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]propan-1-ol
SMILESCc1ccc(OCCCO)c(C=Cc2cccc(F)c2)n1
InChIInChI=1S/C17H18FNO2/c1-13-6-9-17(21-11-3-10-20)16(19-13)8-7-14-4-2-5-15(18)12-14/h2,4-9,12,20H,3,10-11H2,1H3
InChIKeyUORLYHVPJNPHCM-UHFFFAOYSA-N
XLogP3.46
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-(3-fluorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]propan-1-ol?
The IUPAC name of 3-[[2-[2-(3-fluorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]propan-1-ol (CID 54364282) is 3-[[2-[2-(3-fluorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]propan-1-ol.
What is the SMILES notation for 3-[[2-[2-(3-fluorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]propan-1-ol?
The canonical SMILES for 3-[[2-[2-(3-fluorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]propan-1-ol is Cc1ccc(OCCCO)c(C=Cc2cccc(F)c2)n1.
What is the InChIKey of 3-[[2-[2-(3-fluorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]propan-1-ol?
The InChIKey is UORLYHVPJNPHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-13-6-9-17(21-11-3-10-20)16(19-13)8-7-14-4-2-5-15(18)12-14/h2,4-9,12,20H,3,10-11H2,1H3.
What are the key properties of 3-[[2-[2-(3-fluorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]propan-1-ol?
3-[[2-[2-(3-fluorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]propan-1-ol has a molecular weight of 287.33 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-(3-fluorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]propan-1-ol is sourced from PubChem (CID 54364282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).