3-(2,3-difluoro-4-methoxyphenyl)-8-oxabicyclo[3.2.1]octan-3-ol

C14H16F2O3 — CID 171954665

IUPAC3-(2,3-difluoro-4-methoxyphenyl)-8-oxabicyclo[3.2.1]octan-3-ol
SMILESCOc1ccc(C2(O)CC3CCC(C2)O3)c(F)c1F
InChIInChI=1S/C14H16F2O3/c1-18-11-5-4-10(12(15)13(11)16)14(17)6-8-2-3-9(7-14)19-8/h4-5,8-9,17H,2-3,6-7H2,1H3
InChIKeyJUEGNACDJHHLQV-UHFFFAOYSA-N
MW270.27 g/mol
LogP2.50
Rot. Bonds2

About 3-(2,3-difluoro-4-methoxyphenyl)-8-oxabicyclo[3.2.1]octan-3-ol

3-(2,3-difluoro-4-methoxyphenyl)-8-oxabicyclo[3.2.1]octan-3-ol (PubChem CID 171954665) has the molecular formula C14H16F2O3 and a molecular weight of 270.27 g/mol. Its IUPAC name is 3-(2,3-difluoro-4-methoxyphenyl)-8-oxabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(2,3-difluoro-4-methoxyphenyl)-8-oxabicyclo[3.2.1]octan-3-ol
PubChem CID171954665
Molecular FormulaC14H16F2O3
Molecular Weight270.27 g/mol
Exact Mass270.11
IUPAC Name3-(2,3-difluoro-4-methoxyphenyl)-8-oxabicyclo[3.2.1]octan-3-ol
SMILESCOc1ccc(C2(O)CC3CCC(C2)O3)c(F)c1F
InChIInChI=1S/C14H16F2O3/c1-18-11-5-4-10(12(15)13(11)16)14(17)6-8-2-3-9(7-14)19-8/h4-5,8-9,17H,2-3,6-7H2,1H3
InChIKeyJUEGNACDJHHLQV-UHFFFAOYSA-N
XLogP2.50
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4,5-difluoro-2-methoxyphenyl)-8-oxabicyclo[3.2.1]octan-3-ol
CID 171954740
3-(2-fluoro-3-methylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol
CID 171959187
4-(2-fluoro-3-methoxyphenyl)-2,6-dimethyloxan-4-ol
CID 82808469
3-(4-ethoxy-2-fluorophenyl)-8-oxabicyclo[3.2.1]octan-3-ol
CID 171955161
9H-fluoren-9-ylmethyl 3-(2,3-difluoro-4-methoxyphenyl)-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171954673
1-(2-fluoro-3-methoxyphenyl)cyclopropan-1-ol
CID 83808255
3-[2-fluoro-5-(trifluoromethoxy)phenyl]-8-oxabicyclo[3.2.1]octan-3-ol
CID 171956807
3-(6-methoxy-3-pyridinyl)-8-oxabicyclo[3.2.1]octan-3-ol
CID 171957748
3-(5-methoxy-2-pyridinyl)-8-oxabicyclo[3.2.1]octan-3-ol
CID 171957675
3-(2-propan-2-ylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol
CID 171961979
1-(2-fluoro-3-methoxyphenyl)-4-propan-2-ylcyclohexan-1-ol
CID 82805715
1-(2-fluoro-3-methoxyphenyl)-2,5-dimethylcyclohexan-1-ol
CID 82805530

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluoro-4-methoxyphenyl)-8-oxabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(2,3-difluoro-4-methoxyphenyl)-8-oxabicyclo[3.2.1]octan-3-ol (CID 171954665) is 3-(2,3-difluoro-4-methoxyphenyl)-8-oxabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(2,3-difluoro-4-methoxyphenyl)-8-oxabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(2,3-difluoro-4-methoxyphenyl)-8-oxabicyclo[3.2.1]octan-3-ol is COc1ccc(C2(O)CC3CCC(C2)O3)c(F)c1F.
What is the InChIKey of 3-(2,3-difluoro-4-methoxyphenyl)-8-oxabicyclo[3.2.1]octan-3-ol?
The InChIKey is JUEGNACDJHHLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2O3/c1-18-11-5-4-10(12(15)13(11)16)14(17)6-8-2-3-9(7-14)19-8/h4-5,8-9,17H,2-3,6-7H2,1H3.
What are the key properties of 3-(2,3-difluoro-4-methoxyphenyl)-8-oxabicyclo[3.2.1]octan-3-ol?
3-(2,3-difluoro-4-methoxyphenyl)-8-oxabicyclo[3.2.1]octan-3-ol has a molecular weight of 270.27 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluoro-4-methoxyphenyl)-8-oxabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171954665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).