2-(4-tert-butylphenyl)-1-(8-oxabicyclo[3.2.1]octan-3-yl)ethanone

C19H26O2 — CID 171949715

IUPAC2-(4-tert-butylphenyl)-1-(8-oxabicyclo[3.2.1]octan-3-yl)ethanone
SMILESCC(C)(C)c1ccc(CC(=O)C2CC3CCC(C2)O3)cc1
InChIInChI=1S/C19H26O2/c1-19(2,3)15-6-4-13(5-7-15)10-18(20)14-11-16-8-9-17(12-14)21-16/h4-7,14,16-17H,8-12H2,1-3H3
InChIKeyRZHVSFKNHNOZGR-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.05
Rot. Bonds3

About 2-(4-tert-butylphenyl)-1-(8-oxabicyclo[3.2.1]octan-3-yl)ethanone

2-(4-tert-butylphenyl)-1-(8-oxabicyclo[3.2.1]octan-3-yl)ethanone (PubChem CID 171949715) has the molecular formula C19H26O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-1-(8-oxabicyclo[3.2.1]octan-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-1-(8-oxabicyclo[3.2.1]octan-3-yl)ethanone
PubChem CID171949715
Molecular FormulaC19H26O2
Molecular Weight286.42 g/mol
Exact Mass286.19
IUPAC Name2-(4-tert-butylphenyl)-1-(8-oxabicyclo[3.2.1]octan-3-yl)ethanone
SMILESCC(C)(C)c1ccc(CC(=O)C2CC3CCC(C2)O3)cc1
InChIInChI=1S/C19H26O2/c1-19(2,3)15-6-4-13(5-7-15)10-18(20)14-11-16-8-9-17(12-14)21-16/h4-7,14,16-17H,8-12H2,1-3H3
InChIKeyRZHVSFKNHNOZGR-UHFFFAOYSA-N
XLogP4.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butylphenyl)-1-cycloheptylethanone
CID 65399375
2-(4-tert-butylphenyl)-1-(9-thiabicyclo[3.3.1]nonan-3-yl)ethanone
CID 171949725
2-(4-tert-butylphenyl)-1-(3-methylcyclohexyl)ethanone
CID 63409366
2-(4-tert-butylphenyl)-1-(5-methyloxolan-2-yl)ethanone
CID 114967922
1-[4-(aminomethyl)cyclohexyl]-2-(4-tert-butylphenyl)ethanone
CID 116592436
tert-butyl 3-[2-(4-tert-butylphenyl)acetyl]-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171949722
2-(4-tert-butylphenyl)-1-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethanone
CID 58145202
2-(4-tert-butylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
CID 114967862
3-(4-tert-butylphenyl)-1-cyclopropyl-1-hydroxypropan-2-one
CID 103455668
1-cyclopentyl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 62114725
2-(4-aminophenyl)-1-cyclopropylethanone
CID 116549622
1-(4-tert-butylcyclohexyl)-2-(4-methylphenyl)ethanone
CID 63527515

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-1-(8-oxabicyclo[3.2.1]octan-3-yl)ethanone?
The IUPAC name of 2-(4-tert-butylphenyl)-1-(8-oxabicyclo[3.2.1]octan-3-yl)ethanone (CID 171949715) is 2-(4-tert-butylphenyl)-1-(8-oxabicyclo[3.2.1]octan-3-yl)ethanone.
What is the SMILES notation for 2-(4-tert-butylphenyl)-1-(8-oxabicyclo[3.2.1]octan-3-yl)ethanone?
The canonical SMILES for 2-(4-tert-butylphenyl)-1-(8-oxabicyclo[3.2.1]octan-3-yl)ethanone is CC(C)(C)c1ccc(CC(=O)C2CC3CCC(C2)O3)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-1-(8-oxabicyclo[3.2.1]octan-3-yl)ethanone?
The InChIKey is RZHVSFKNHNOZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c1-19(2,3)15-6-4-13(5-7-15)10-18(20)14-11-16-8-9-17(12-14)21-16/h4-7,14,16-17H,8-12H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-1-(8-oxabicyclo[3.2.1]octan-3-yl)ethanone?
2-(4-tert-butylphenyl)-1-(8-oxabicyclo[3.2.1]octan-3-yl)ethanone has a molecular weight of 286.42 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-1-(8-oxabicyclo[3.2.1]octan-3-yl)ethanone is sourced from PubChem (CID 171949715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).