4-[3-fluoro-5-(3-methoxypropoxymethyl)phenyl]but-3-yn-1-ol

C15H19FO3 — CID 79710939

IUPAC4-[3-fluoro-5-(3-methoxypropoxymethyl)phenyl]but-3-yn-1-ol
SMILESCOCCCOCc1cc(F)cc(C#CCCO)c1
InChIInChI=1S/C15H19FO3/c1-18-7-4-8-19-12-14-9-13(5-2-3-6-17)10-15(16)11-14/h9-11,17H,3-4,6-8,12H2,1H3
InChIKeySNHHBGXVUQHPMO-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.11
Rot. Bonds7

About 4-[3-fluoro-5-(3-methoxypropoxymethyl)phenyl]but-3-yn-1-ol

4-[3-fluoro-5-(3-methoxypropoxymethyl)phenyl]but-3-yn-1-ol (PubChem CID 79710939) has the molecular formula C15H19FO3 and a molecular weight of 266.31 g/mol. Its IUPAC name is 4-[3-fluoro-5-(3-methoxypropoxymethyl)phenyl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[3-fluoro-5-(3-methoxypropoxymethyl)phenyl]but-3-yn-1-ol
PubChem CID79710939
Molecular FormulaC15H19FO3
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name4-[3-fluoro-5-(3-methoxypropoxymethyl)phenyl]but-3-yn-1-ol
SMILESCOCCCOCc1cc(F)cc(C#CCCO)c1
InChIInChI=1S/C15H19FO3/c1-18-7-4-8-19-12-14-9-13(5-2-3-6-17)10-15(16)11-14/h9-11,17H,3-4,6-8,12H2,1H3
InChIKeySNHHBGXVUQHPMO-UHFFFAOYSA-N
XLogP2.11
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-5-(3-methoxypropoxymethyl)phenyl]but-3-yn-1-ol?
The IUPAC name of 4-[3-fluoro-5-(3-methoxypropoxymethyl)phenyl]but-3-yn-1-ol (CID 79710939) is 4-[3-fluoro-5-(3-methoxypropoxymethyl)phenyl]but-3-yn-1-ol.
What is the SMILES notation for 4-[3-fluoro-5-(3-methoxypropoxymethyl)phenyl]but-3-yn-1-ol?
The canonical SMILES for 4-[3-fluoro-5-(3-methoxypropoxymethyl)phenyl]but-3-yn-1-ol is COCCCOCc1cc(F)cc(C#CCCO)c1.
What is the InChIKey of 4-[3-fluoro-5-(3-methoxypropoxymethyl)phenyl]but-3-yn-1-ol?
The InChIKey is SNHHBGXVUQHPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO3/c1-18-7-4-8-19-12-14-9-13(5-2-3-6-17)10-15(16)11-14/h9-11,17H,3-4,6-8,12H2,1H3.
What are the key properties of 4-[3-fluoro-5-(3-methoxypropoxymethyl)phenyl]but-3-yn-1-ol?
4-[3-fluoro-5-(3-methoxypropoxymethyl)phenyl]but-3-yn-1-ol has a molecular weight of 266.31 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-5-(3-methoxypropoxymethyl)phenyl]but-3-yn-1-ol is sourced from PubChem (CID 79710939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).