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

C17H19FO3 — CID 81313648

IUPAC3-[3-fluoro-5-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-ol
SMILESOCC#Cc1cc(F)cc(OC2CCOC3(CCC3)C2)c1
InChIInChI=1S/C17H19FO3/c18-14-9-13(3-1-7-19)10-16(11-14)21-15-4-8-20-17(12-15)5-2-6-17/h9-11,15,19H,2,4-8,12H2
InChIKeyARYHDQBIRUVCAF-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.65
Rot. Bonds2

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

3-[3-fluoro-5-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-ol (PubChem CID 81313648) has the molecular formula C17H19FO3 and a molecular weight of 290.33 g/mol. Its IUPAC name is 3-[3-fluoro-5-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[3-fluoro-5-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-ol
PubChem CID81313648
Molecular FormulaC17H19FO3
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name3-[3-fluoro-5-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-ol
SMILESOCC#Cc1cc(F)cc(OC2CCOC3(CCC3)C2)c1
InChIInChI=1S/C17H19FO3/c18-14-9-13(3-1-7-19)10-16(11-14)21-15-4-8-20-17(12-15)5-2-6-17/h9-11,15,19H,2,4-8,12H2
InChIKeyARYHDQBIRUVCAF-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'}

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Related Compounds

3-[3-fluoro-5-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-amine
CID 81314759
3-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-ol
CID 79910942
3-[5-fluoro-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-ol
CID 79907882
3-(3-cyclohexyloxy-5-fluorophenyl)prop-2-yn-1-ol
CID 81325582
4-[3-fluoro-5-(oxan-3-yloxy)phenyl]but-3-yn-1-ol
CID 107137047
3-[3-fluoro-5-(3-methylcyclohexyl)oxyphenyl]prop-2-yn-1-ol
CID 81325816
3-[5-(6-oxaspiro[4.5]decan-9-yloxy)-3-pyridinyl]prop-2-yn-1-amine
CID 79908184
4-(3-bromo-5-fluorophenoxy)-1-oxa-9-thiaspiro[5.5]undecane
CID 81332278
8-(4-chloro-3-fluorophenoxy)-5-oxaspiro[3.5]nonane
CID 82727190
1-(3-chloroprop-1-ynyl)-3-cyclohexyloxy-5-fluorobenzene
CID 81326053
3-[3-(2-cyclopropylethoxy)-5-fluorophenyl]prop-2-yn-1-ol
CID 81325890
9-(4-bromo-3,5-dimethylphenoxy)-6-oxaspiro[4.5]decane
CID 107723955

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-5-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[3-fluoro-5-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-ol (CID 81313648) is 3-[3-fluoro-5-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[3-fluoro-5-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[3-fluoro-5-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-ol is OCC#Cc1cc(F)cc(OC2CCOC3(CCC3)C2)c1.
What is the InChIKey of 3-[3-fluoro-5-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-ol?
The InChIKey is ARYHDQBIRUVCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO3/c18-14-9-13(3-1-7-19)10-16(11-14)21-15-4-8-20-17(12-15)5-2-6-17/h9-11,15,19H,2,4-8,12H2.
What are the key properties of 3-[3-fluoro-5-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-ol?
3-[3-fluoro-5-(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-[3-fluoro-5-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 81313648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).