3-(4-ethoxy-2-fluorophenyl)-8-oxabicyclo[3.2.1]octan-3-ol

C15H19FO3 — CID 171955161

IUPAC3-(4-ethoxy-2-fluorophenyl)-8-oxabicyclo[3.2.1]octan-3-ol
SMILESCCOc1ccc(C2(O)CC3CCC(C2)O3)c(F)c1
InChIInChI=1S/C15H19FO3/c1-2-18-10-5-6-13(14(16)7-10)15(17)8-11-3-4-12(9-15)19-11/h5-7,11-12,17H,2-4,8-9H2,1H3
InChIKeyYRIMLMPZZKOZTB-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.75
Rot. Bonds3

About 3-(4-ethoxy-2-fluorophenyl)-8-oxabicyclo[3.2.1]octan-3-ol

3-(4-ethoxy-2-fluorophenyl)-8-oxabicyclo[3.2.1]octan-3-ol (PubChem CID 171955161) has the molecular formula C15H19FO3 and a molecular weight of 266.31 g/mol. Its IUPAC name is 3-(4-ethoxy-2-fluorophenyl)-8-oxabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(4-ethoxy-2-fluorophenyl)-8-oxabicyclo[3.2.1]octan-3-ol
PubChem CID171955161
Molecular FormulaC15H19FO3
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name3-(4-ethoxy-2-fluorophenyl)-8-oxabicyclo[3.2.1]octan-3-ol
SMILESCCOc1ccc(C2(O)CC3CCC(C2)O3)c(F)c1
InChIInChI=1S/C15H19FO3/c1-2-18-10-5-6-13(14(16)7-10)15(17)8-11-3-4-12(9-15)19-11/h5-7,11-12,17H,2-4,8-9H2,1H3
InChIKeyYRIMLMPZZKOZTB-UHFFFAOYSA-N
XLogP2.75
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-ethoxy-2-fluorophenyl)-8-oxabicyclo[3.2.1]octan-3-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-(2,3-difluoro-4-methoxyphenyl)-8-oxabicyclo[3.2.1]octan-3-ol
CID 171954665
3-[2-fluoro-5-(trifluoromethoxy)phenyl]-8-oxabicyclo[3.2.1]octan-3-ol
CID 171956807
9H-fluoren-9-ylmethyl 3-(4-ethoxy-2-fluorophenyl)-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171955169
3-(5-methoxy-2-pyridinyl)-8-oxabicyclo[3.2.1]octan-3-ol
CID 171957675
1-(4-ethoxy-2-fluorophenyl)piperidin-4-amine
CID 65202408
2-(4-ethoxy-2-fluorophenyl)ethanol
CID 117279842
2-[(4-ethoxyphenyl)-hydroxymethyl]-7-oxabicyclo[2.2.1]heptane-2-carbonitrile
CID 79130391
1-(2-fluoro-4-methoxyphenyl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429701
3-[4-(3-hydroxy-8-oxabicyclo[3.2.1]octan-3-yl)phenoxy]propanenitrile
CID 171963241
3-[3-methoxy-5-(trifluoromethyl)phenyl]-8-oxabicyclo[3.2.1]octan-3-ol
CID 171956932
4-[2,4-bis(methoxymethoxy)phenyl]-2,6-dimethyloxan-4-ol
CID 66744767
3-(4-ethoxy-2-fluorophenyl)-6-methyl-3,4-dihydro-2H-pyran
CID 118586613

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-2-fluorophenyl)-8-oxabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(4-ethoxy-2-fluorophenyl)-8-oxabicyclo[3.2.1]octan-3-ol (CID 171955161) is 3-(4-ethoxy-2-fluorophenyl)-8-oxabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(4-ethoxy-2-fluorophenyl)-8-oxabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(4-ethoxy-2-fluorophenyl)-8-oxabicyclo[3.2.1]octan-3-ol is CCOc1ccc(C2(O)CC3CCC(C2)O3)c(F)c1.
What is the InChIKey of 3-(4-ethoxy-2-fluorophenyl)-8-oxabicyclo[3.2.1]octan-3-ol?
The InChIKey is YRIMLMPZZKOZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO3/c1-2-18-10-5-6-13(14(16)7-10)15(17)8-11-3-4-12(9-15)19-11/h5-7,11-12,17H,2-4,8-9H2,1H3.
What are the key properties of 3-(4-ethoxy-2-fluorophenyl)-8-oxabicyclo[3.2.1]octan-3-ol?
3-(4-ethoxy-2-fluorophenyl)-8-oxabicyclo[3.2.1]octan-3-ol has a molecular weight of 266.31 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-2-fluorophenyl)-8-oxabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171955161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).