3-(2-propan-2-ylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol

C16H22O2 — CID 171961979

IUPAC3-(2-propan-2-ylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol
SMILESCC(C)c1ccccc1C1(O)CC2CCC(C1)O2
InChIInChI=1S/C16H22O2/c1-11(2)14-5-3-4-6-15(14)16(17)9-12-7-8-13(10-16)18-12/h3-6,11-13,17H,7-10H2,1-2H3
InChIKeyVKUOGHUZJOKBPR-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.34
Rot. Bonds2

About 3-(2-propan-2-ylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol

3-(2-propan-2-ylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol (PubChem CID 171961979) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-(2-propan-2-ylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(2-propan-2-ylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol
PubChem CID171961979
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name3-(2-propan-2-ylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol
SMILESCC(C)c1ccccc1C1(O)CC2CCC(C1)O2
InChIInChI=1S/C16H22O2/c1-11(2)14-5-3-4-6-15(14)16(17)9-12-7-8-13(10-16)18-12/h3-6,11-13,17H,7-10H2,1-2H3
InChIKeyVKUOGHUZJOKBPR-UHFFFAOYSA-N
XLogP3.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-propan-2-ylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

3-(2-fluoro-3-methylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol
CID 171959187
9-benzyl-7-(2-propan-2-ylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171961994
tert-butyl 3-hydroxy-3-(2-propan-2-ylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171961986
3-(2,3-difluoro-4-methoxyphenyl)-8-oxabicyclo[3.2.1]octan-3-ol
CID 171954665
3-(4-ethoxy-2-fluorophenyl)-8-oxabicyclo[3.2.1]octan-3-ol
CID 171955161
3-[4-(dimethylamino)phenyl]-8-oxabicyclo[3.2.1]octan-3-ol
CID 171960397
3-(4,5-difluoro-2-methoxyphenyl)-8-oxabicyclo[3.2.1]octan-3-ol
CID 171954740
3-(6-methylpyridazin-3-yl)-8-oxabicyclo[3.2.1]octan-3-ol
CID 171964824
3-(2-propan-2-ylphenyl)oxetane-3-carboxylic acid
CID 167456442
7-[2-(difluoromethyl)phenyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171961917
3-(4-pyridin-2-ylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol
CID 171957331
3-[2-(difluoromethoxy)-6-fluorophenyl]-8-oxabicyclo[3.2.1]octan-3-ol
CID 171963415

Frequently Asked Questions

What is the IUPAC name of 3-(2-propan-2-ylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(2-propan-2-ylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol (CID 171961979) is 3-(2-propan-2-ylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(2-propan-2-ylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(2-propan-2-ylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol is CC(C)c1ccccc1C1(O)CC2CCC(C1)O2.
What is the InChIKey of 3-(2-propan-2-ylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol?
The InChIKey is VKUOGHUZJOKBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-11(2)14-5-3-4-6-15(14)16(17)9-12-7-8-13(10-16)18-12/h3-6,11-13,17H,7-10H2,1-2H3.
What are the key properties of 3-(2-propan-2-ylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol?
3-(2-propan-2-ylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol has a molecular weight of 246.35 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propan-2-ylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171961979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).