3-[3-fluoro-5-(2-propoxyethoxy)phenyl]prop-2-yn-1-ol

C14H17FO3 — CID 106455448

IUPAC3-[3-fluoro-5-(2-propoxyethoxy)phenyl]prop-2-yn-1-ol
SMILESCCCOCCOc1cc(F)cc(C#CCO)c1
InChIInChI=1S/C14H17FO3/c1-2-6-17-7-8-18-14-10-12(4-3-5-16)9-13(15)11-14/h9-11,16H,2,5-8H2,1H3
InChIKeyIVSHBLGODKUUJU-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.97
Rot. Bonds6

About 3-[3-fluoro-5-(2-propoxyethoxy)phenyl]prop-2-yn-1-ol

3-[3-fluoro-5-(2-propoxyethoxy)phenyl]prop-2-yn-1-ol (PubChem CID 106455448) has the molecular formula C14H17FO3 and a molecular weight of 252.28 g/mol. Its IUPAC name is 3-[3-fluoro-5-(2-propoxyethoxy)phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[3-fluoro-5-(2-propoxyethoxy)phenyl]prop-2-yn-1-ol
PubChem CID106455448
Molecular FormulaC14H17FO3
Molecular Weight252.28 g/mol
Exact Mass252.12
IUPAC Name3-[3-fluoro-5-(2-propoxyethoxy)phenyl]prop-2-yn-1-ol
SMILESCCCOCCOc1cc(F)cc(C#CCO)c1
InChIInChI=1S/C14H17FO3/c1-2-6-17-7-8-18-14-10-12(4-3-5-16)9-13(15)11-14/h9-11,16H,2,5-8H2,1H3
InChIKeyIVSHBLGODKUUJU-UHFFFAOYSA-N
XLogP1.97
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.97
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'}

Analyze 3-[3-fluoro-5-(2-propoxyethoxy)phenyl]prop-2-yn-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-5-(2-propoxyethoxy)phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[3-fluoro-5-(2-propoxyethoxy)phenyl]prop-2-yn-1-ol (CID 106455448) is 3-[3-fluoro-5-(2-propoxyethoxy)phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[3-fluoro-5-(2-propoxyethoxy)phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[3-fluoro-5-(2-propoxyethoxy)phenyl]prop-2-yn-1-ol is CCCOCCOc1cc(F)cc(C#CCO)c1.
What is the InChIKey of 3-[3-fluoro-5-(2-propoxyethoxy)phenyl]prop-2-yn-1-ol?
The InChIKey is IVSHBLGODKUUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO3/c1-2-6-17-7-8-18-14-10-12(4-3-5-16)9-13(15)11-14/h9-11,16H,2,5-8H2,1H3.
What are the key properties of 3-[3-fluoro-5-(2-propoxyethoxy)phenyl]prop-2-yn-1-ol?
3-[3-fluoro-5-(2-propoxyethoxy)phenyl]prop-2-yn-1-ol has a molecular weight of 252.28 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-5-(2-propoxyethoxy)phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 106455448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).