3-(2-fluoro-3-methylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol

C14H17FO2 — CID 171959187

IUPAC3-(2-fluoro-3-methylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol
SMILESCc1cccc(C2(O)CC3CCC(C2)O3)c1F
InChIInChI=1S/C14H17FO2/c1-9-3-2-4-12(13(9)15)14(16)7-10-5-6-11(8-14)17-10/h2-4,10-11,16H,5-8H2,1H3
InChIKeyDSNBONHIEWUOMO-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.66
Rot. Bonds1

About 3-(2-fluoro-3-methylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol

3-(2-fluoro-3-methylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol (PubChem CID 171959187) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is 3-(2-fluoro-3-methylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(2-fluoro-3-methylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol
PubChem CID171959187
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Name3-(2-fluoro-3-methylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol
SMILESCc1cccc(C2(O)CC3CCC(C2)O3)c1F
InChIInChI=1S/C14H17FO2/c1-9-3-2-4-12(13(9)15)14(16)7-10-5-6-11(8-14)17-10/h2-4,10-11,16H,5-8H2,1H3
InChIKeyDSNBONHIEWUOMO-UHFFFAOYSA-N
XLogP2.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-difluoro-4-methoxyphenyl)-8-oxabicyclo[3.2.1]octan-3-ol
CID 171954665
1-(2-fluoro-3-methylphenyl)cyclopropan-1-ol
CID 81477688
3-(2-fluoro-3-methylphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171959192
3-(2-propan-2-ylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol
CID 171961979
4-(2-fluoro-3-methoxyphenyl)-2,6-dimethyloxan-4-ol
CID 82808469
3-(4,5-difluoro-2-methoxyphenyl)-8-oxabicyclo[3.2.1]octan-3-ol
CID 171954740
3-(4-ethoxy-2-fluorophenyl)-8-oxabicyclo[3.2.1]octan-3-ol
CID 171955161
1-(2,3-difluorophenyl)-3,5-dimethylcyclohexan-1-ol
CID 64736348
3-[2-(difluoromethoxy)-6-fluorophenyl]-8-oxabicyclo[3.2.1]octan-3-ol
CID 171963415
3-(2,3-difluorophenyl)-9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-ol
CID 171958541
1-(2,3-difluorophenyl)-3-methylcyclopentan-1-ol
CID 64516207
3-(2,3-dimethylphenyl)-8-thiabicyclo[3.2.1]octan-3-ol
CID 171958723

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-3-methylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(2-fluoro-3-methylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol (CID 171959187) is 3-(2-fluoro-3-methylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(2-fluoro-3-methylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(2-fluoro-3-methylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol is Cc1cccc(C2(O)CC3CCC(C2)O3)c1F.
What is the InChIKey of 3-(2-fluoro-3-methylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol?
The InChIKey is DSNBONHIEWUOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO2/c1-9-3-2-4-12(13(9)15)14(16)7-10-5-6-11(8-14)17-10/h2-4,10-11,16H,5-8H2,1H3.
What are the key properties of 3-(2-fluoro-3-methylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol?
3-(2-fluoro-3-methylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol has a molecular weight of 236.29 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-3-methylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171959187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).