2-(4-tert-butylphenyl)-1-(5-methyloxolan-2-yl)ethanone

C17H24O2 — CID 114967922

IUPAC2-(4-tert-butylphenyl)-1-(5-methyloxolan-2-yl)ethanone
SMILESCC1CCC(C(=O)Cc2ccc(C(C)(C)C)cc2)O1
InChIInChI=1S/C17H24O2/c1-12-5-10-16(19-12)15(18)11-13-6-8-14(9-7-13)17(2,3)4/h6-9,12,16H,5,10-11H2,1-4H3
InChIKeyDWXUVDIVIAMCQF-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.66
Rot. Bonds3

About 2-(4-tert-butylphenyl)-1-(5-methyloxolan-2-yl)ethanone

2-(4-tert-butylphenyl)-1-(5-methyloxolan-2-yl)ethanone (PubChem CID 114967922) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-1-(5-methyloxolan-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-1-(5-methyloxolan-2-yl)ethanone
PubChem CID114967922
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name2-(4-tert-butylphenyl)-1-(5-methyloxolan-2-yl)ethanone
SMILESCC1CCC(C(=O)Cc2ccc(C(C)(C)C)cc2)O1
InChIInChI=1S/C17H24O2/c1-12-5-10-16(19-12)15(18)11-13-6-8-14(9-7-13)17(2,3)4/h6-9,12,16H,5,10-11H2,1-4H3
InChIKeyDWXUVDIVIAMCQF-UHFFFAOYSA-N
XLogP3.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-iodophenyl)-1-(5-methyloxolan-2-yl)ethanone
CID 114974200
2-(furan-3-yl)-1-(5-methyloxolan-2-yl)ethanone
CID 115795921
2-(4-tert-butylphenyl)-1-(8-oxabicyclo[3.2.1]octan-3-yl)ethanone
CID 171949715
2-(4-tert-butylphenyl)-1-cycloheptylethanone
CID 65399375
2-(3-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanone
CID 81330350
2-(3-bromo-4-methoxyphenyl)-1-(5-methyloxolan-2-yl)ethanone
CID 114964723
2-(4-tert-butylphenyl)-1-(3-methylcyclohexyl)ethanone
CID 63409366
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-[4-(aminomethyl)cyclohexyl]-2-(4-tert-butylphenyl)ethanone
CID 116592436
2-(3-chloro-2-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanone
CID 102865639
2-(4-tert-butylphenyl)-1-(9-thiabicyclo[3.3.1]nonan-3-yl)ethanone
CID 171949725

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-1-(5-methyloxolan-2-yl)ethanone?
The IUPAC name of 2-(4-tert-butylphenyl)-1-(5-methyloxolan-2-yl)ethanone (CID 114967922) is 2-(4-tert-butylphenyl)-1-(5-methyloxolan-2-yl)ethanone.
What is the SMILES notation for 2-(4-tert-butylphenyl)-1-(5-methyloxolan-2-yl)ethanone?
The canonical SMILES for 2-(4-tert-butylphenyl)-1-(5-methyloxolan-2-yl)ethanone is CC1CCC(C(=O)Cc2ccc(C(C)(C)C)cc2)O1.
What is the InChIKey of 2-(4-tert-butylphenyl)-1-(5-methyloxolan-2-yl)ethanone?
The InChIKey is DWXUVDIVIAMCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-12-5-10-16(19-12)15(18)11-13-6-8-14(9-7-13)17(2,3)4/h6-9,12,16H,5,10-11H2,1-4H3.
What are the key properties of 2-(4-tert-butylphenyl)-1-(5-methyloxolan-2-yl)ethanone?
2-(4-tert-butylphenyl)-1-(5-methyloxolan-2-yl)ethanone has a molecular weight of 260.38 g/mol, XLogP of 3.66, 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-(5-methyloxolan-2-yl)ethanone is sourced from PubChem (CID 114967922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).