3-[2-fluoro-4-(oxan-4-yloxy)phenyl]prop-2-yn-1-ol

C14H15FO3 — CID 65203029

IUPAC3-[2-fluoro-4-(oxan-4-yloxy)phenyl]prop-2-yn-1-ol
SMILESOCC#Cc1ccc(OC2CCOCC2)cc1F
InChIInChI=1S/C14H15FO3/c15-14-10-13(4-3-11(14)2-1-7-16)18-12-5-8-17-9-6-12/h3-4,10,12,16H,5-9H2
InChIKeyAUESDBIHMWQMAU-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.73
Rot. Bonds2

About 3-[2-fluoro-4-(oxan-4-yloxy)phenyl]prop-2-yn-1-ol

3-[2-fluoro-4-(oxan-4-yloxy)phenyl]prop-2-yn-1-ol (PubChem CID 65203029) has the molecular formula C14H15FO3 and a molecular weight of 250.27 g/mol. Its IUPAC name is 3-[2-fluoro-4-(oxan-4-yloxy)phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[2-fluoro-4-(oxan-4-yloxy)phenyl]prop-2-yn-1-ol
PubChem CID65203029
Molecular FormulaC14H15FO3
Molecular Weight250.27 g/mol
Exact Mass250.10
IUPAC Name3-[2-fluoro-4-(oxan-4-yloxy)phenyl]prop-2-yn-1-ol
SMILESOCC#Cc1ccc(OC2CCOCC2)cc1F
InChIInChI=1S/C14H15FO3/c15-14-10-13(4-3-11(14)2-1-7-16)18-12-5-8-17-9-6-12/h3-4,10,12,16H,5-9H2
InChIKeyAUESDBIHMWQMAU-UHFFFAOYSA-N
XLogP1.73
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[2-fluoro-4-(oxan-4-yloxy)phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[2-fluoro-4-(oxan-4-yloxy)phenyl]prop-2-yn-1-ol (CID 65203029) is 3-[2-fluoro-4-(oxan-4-yloxy)phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[2-fluoro-4-(oxan-4-yloxy)phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[2-fluoro-4-(oxan-4-yloxy)phenyl]prop-2-yn-1-ol is OCC#Cc1ccc(OC2CCOCC2)cc1F.
What is the InChIKey of 3-[2-fluoro-4-(oxan-4-yloxy)phenyl]prop-2-yn-1-ol?
The InChIKey is AUESDBIHMWQMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FO3/c15-14-10-13(4-3-11(14)2-1-7-16)18-12-5-8-17-9-6-12/h3-4,10,12,16H,5-9H2.
What are the key properties of 3-[2-fluoro-4-(oxan-4-yloxy)phenyl]prop-2-yn-1-ol?
3-[2-fluoro-4-(oxan-4-yloxy)phenyl]prop-2-yn-1-ol has a molecular weight of 250.27 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-4-(oxan-4-yloxy)phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 65203029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).