3-[5-fluoro-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-ol

C17H19FO3 — CID 79907882

IUPAC3-[5-fluoro-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-ol
SMILESOCC#Cc1cc(F)ccc1OC1CCOC2(CCC2)C1
InChIInChI=1S/C17H19FO3/c18-14-4-5-16(13(11-14)3-1-9-19)21-15-6-10-20-17(12-15)7-2-8-17/h4-5,11,15,19H,2,6-10,12H2
InChIKeyMCIDUCXFFBSELV-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.65
Rot. Bonds2

About 3-[5-fluoro-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-ol

3-[5-fluoro-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-ol (PubChem CID 79907882) has the molecular formula C17H19FO3 and a molecular weight of 290.33 g/mol. Its IUPAC name is 3-[5-fluoro-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[5-fluoro-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-ol
PubChem CID79907882
Molecular FormulaC17H19FO3
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name3-[5-fluoro-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-ol
SMILESOCC#Cc1cc(F)ccc1OC1CCOC2(CCC2)C1
InChIInChI=1S/C17H19FO3/c18-14-4-5-16(13(11-14)3-1-9-19)21-15-6-10-20-17(12-15)7-2-8-17/h4-5,11,15,19H,2,6-10,12H2
InChIKeyMCIDUCXFFBSELV-UHFFFAOYSA-N
XLogP2.65
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[5-fluoro-2-(5-oxaspiro[3.5]nonan-8-yloxy)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

Related Compounds

3-[3-fluoro-5-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-ol
CID 81313648
5-fluoro-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzoic acid
CID 115297905
8-(5-fluoro-2-methylphenoxy)-5-oxaspiro[3.5]nonane
CID 102990531
3-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-ol
CID 79910942
1-[5-fluoro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]-N-methylmethanamine
CID 107695140
3-[2-(3,5-dimethylcyclohexyl)oxy-5-fluorophenyl]prop-2-yn-1-ol
CID 64731121
4-[2-(bromomethyl)-4-fluorophenoxy]-1,9-dioxaspiro[5.5]undecane
CID 107699038
3-[3-fluoro-5-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-amine
CID 81314759
2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-4-fluoroaniline
CID 79904764
[4-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-3-fluorophenyl]methanol
CID 107690992
2-[2-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanol
CID 107713039
9-[2-(bromomethyl)-4-fluorophenoxy]-2,6-dioxaspiro[4.5]decane
CID 107699125

Frequently Asked Questions

What is the IUPAC name of 3-[5-fluoro-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[5-fluoro-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-ol (CID 79907882) is 3-[5-fluoro-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[5-fluoro-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[5-fluoro-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-ol is OCC#Cc1cc(F)ccc1OC1CCOC2(CCC2)C1.
What is the InChIKey of 3-[5-fluoro-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-ol?
The InChIKey is MCIDUCXFFBSELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO3/c18-14-4-5-16(13(11-14)3-1-9-19)21-15-6-10-20-17(12-15)7-2-8-17/h4-5,11,15,19H,2,6-10,12H2.
What are the key properties of 3-[5-fluoro-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-ol?
3-[5-fluoro-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-ol has a molecular weight of 290.33 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-fluoro-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 79907882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).