3-[4-fluoro-3-[(6-methoxy-2-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol

C16H14FNO3 — CID 114675166

IUPAC3-[4-fluoro-3-[(6-methoxy-2-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol
SMILESCOc1cccc(COc2cc(C#CCO)ccc2F)n1
InChIInChI=1S/C16H14FNO3/c1-20-16-6-2-5-13(18-16)11-21-15-10-12(4-3-9-19)7-8-14(15)17/h2,5-8,10,19H,9,11H2,1H3
InChIKeyKPIADZPJHPXOMX-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.15
Rot. Bonds4

About 3-[4-fluoro-3-[(6-methoxy-2-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol

3-[4-fluoro-3-[(6-methoxy-2-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol (PubChem CID 114675166) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is 3-[4-fluoro-3-[(6-methoxy-2-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[4-fluoro-3-[(6-methoxy-2-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol
PubChem CID114675166
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name3-[4-fluoro-3-[(6-methoxy-2-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol
SMILESCOc1cccc(COc2cc(C#CCO)ccc2F)n1
InChIInChI=1S/C16H14FNO3/c1-20-16-6-2-5-13(18-16)11-21-15-10-12(4-3-9-19)7-8-14(15)17/h2,5-8,10,19H,9,11H2,1H3
InChIKeyKPIADZPJHPXOMX-UHFFFAOYSA-N
XLogP2.15
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-3-[(6-methoxy-2-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[4-fluoro-3-[(6-methoxy-2-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol (CID 114675166) is 3-[4-fluoro-3-[(6-methoxy-2-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[4-fluoro-3-[(6-methoxy-2-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[4-fluoro-3-[(6-methoxy-2-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol is COc1cccc(COc2cc(C#CCO)ccc2F)n1.
What is the InChIKey of 3-[4-fluoro-3-[(6-methoxy-2-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol?
The InChIKey is KPIADZPJHPXOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c1-20-16-6-2-5-13(18-16)11-21-15-10-12(4-3-9-19)7-8-14(15)17/h2,5-8,10,19H,9,11H2,1H3.
What are the key properties of 3-[4-fluoro-3-[(6-methoxy-2-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol?
3-[4-fluoro-3-[(6-methoxy-2-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol has a molecular weight of 287.29 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-3-[(6-methoxy-2-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 114675166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).