3-[4-[(6-fluoro-2-pyridinyl)oxy]-3-methoxyphenyl]propan-1-ol

C15H16FNO3 — CID 59191208

IUPAC3-[4-[(6-fluoro-2-pyridinyl)oxy]-3-methoxyphenyl]propan-1-ol
SMILESCOc1cc(CCCO)ccc1Oc1cccc(F)n1
InChIInChI=1S/C15H16FNO3/c1-19-13-10-11(4-3-9-18)7-8-12(13)20-15-6-2-5-14(16)17-15/h2,5-8,10,18H,3-4,9H2,1H3
InChIKeyIJYGVMBRJDIFHC-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.95
Rot. Bonds6

About 3-[4-[(6-fluoro-2-pyridinyl)oxy]-3-methoxyphenyl]propan-1-ol

3-[4-[(6-fluoro-2-pyridinyl)oxy]-3-methoxyphenyl]propan-1-ol (PubChem CID 59191208) has the molecular formula C15H16FNO3 and a molecular weight of 277.30 g/mol. Its IUPAC name is 3-[4-[(6-fluoro-2-pyridinyl)oxy]-3-methoxyphenyl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[(6-fluoro-2-pyridinyl)oxy]-3-methoxyphenyl]propan-1-ol
PubChem CID59191208
Molecular FormulaC15H16FNO3
Molecular Weight277.30 g/mol
Exact Mass277.11
IUPAC Name3-[4-[(6-fluoro-2-pyridinyl)oxy]-3-methoxyphenyl]propan-1-ol
SMILESCOc1cc(CCCO)ccc1Oc1cccc(F)n1
InChIInChI=1S/C15H16FNO3/c1-19-13-10-11(4-3-9-18)7-8-12(13)20-15-6-2-5-14(16)17-15/h2,5-8,10,18H,3-4,9H2,1H3
InChIKeyIJYGVMBRJDIFHC-UHFFFAOYSA-N
XLogP2.95
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(6-fluoro-2-pyridinyl)oxy]-3-methoxyphenyl]propan-1-ol?
The IUPAC name of 3-[4-[(6-fluoro-2-pyridinyl)oxy]-3-methoxyphenyl]propan-1-ol (CID 59191208) is 3-[4-[(6-fluoro-2-pyridinyl)oxy]-3-methoxyphenyl]propan-1-ol.
What is the SMILES notation for 3-[4-[(6-fluoro-2-pyridinyl)oxy]-3-methoxyphenyl]propan-1-ol?
The canonical SMILES for 3-[4-[(6-fluoro-2-pyridinyl)oxy]-3-methoxyphenyl]propan-1-ol is COc1cc(CCCO)ccc1Oc1cccc(F)n1.
What is the InChIKey of 3-[4-[(6-fluoro-2-pyridinyl)oxy]-3-methoxyphenyl]propan-1-ol?
The InChIKey is IJYGVMBRJDIFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3/c1-19-13-10-11(4-3-9-18)7-8-12(13)20-15-6-2-5-14(16)17-15/h2,5-8,10,18H,3-4,9H2,1H3.
What are the key properties of 3-[4-[(6-fluoro-2-pyridinyl)oxy]-3-methoxyphenyl]propan-1-ol?
3-[4-[(6-fluoro-2-pyridinyl)oxy]-3-methoxyphenyl]propan-1-ol has a molecular weight of 277.30 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(6-fluoro-2-pyridinyl)oxy]-3-methoxyphenyl]propan-1-ol is sourced from PubChem (CID 59191208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).