1-[4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]but-3-en-1-ol

C16H16FNO2 — CID 130276492

IUPAC1-[4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]but-3-en-1-ol
SMILESC=CCC(O)c1ccc(-c2cc(OC)ncc2F)cc1
InChIInChI=1S/C16H16FNO2/c1-3-4-15(19)12-7-5-11(6-8-12)13-9-16(20-2)18-10-14(13)17/h3,5-10,15,19H,1,4H2,2H3
InChIKeyIPHGJZZSEOORDC-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.51
Rot. Bonds5

About 1-[4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]but-3-en-1-ol

1-[4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]but-3-en-1-ol (PubChem CID 130276492) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 1-[4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]but-3-en-1-ol.

Molecular Properties

Compound Name1-[4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]but-3-en-1-ol
PubChem CID130276492
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name1-[4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]but-3-en-1-ol
SMILESC=CCC(O)c1ccc(-c2cc(OC)ncc2F)cc1
InChIInChI=1S/C16H16FNO2/c1-3-4-15(19)12-7-5-11(6-8-12)13-9-16(20-2)18-10-14(13)17/h3,5-10,15,19H,1,4H2,2H3
InChIKeyIPHGJZZSEOORDC-UHFFFAOYSA-N
XLogP3.51
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]but-3-en-1-ol?
The IUPAC name of 1-[4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]but-3-en-1-ol (CID 130276492) is 1-[4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]but-3-en-1-ol.
What is the SMILES notation for 1-[4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]but-3-en-1-ol?
The canonical SMILES for 1-[4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]but-3-en-1-ol is C=CCC(O)c1ccc(-c2cc(OC)ncc2F)cc1.
What is the InChIKey of 1-[4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]but-3-en-1-ol?
The InChIKey is IPHGJZZSEOORDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-3-4-15(19)12-7-5-11(6-8-12)13-9-16(20-2)18-10-14(13)17/h3,5-10,15,19H,1,4H2,2H3.
What are the key properties of 1-[4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]but-3-en-1-ol?
1-[4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]but-3-en-1-ol has a molecular weight of 273.31 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]but-3-en-1-ol is sourced from PubChem (CID 130276492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).