1-(2-tert-butylphenyl)-3-(oxolan-2-yl)propan-1-one

C17H24O2 — CID 114976956

IUPAC1-(2-tert-butylphenyl)-3-(oxolan-2-yl)propan-1-one
SMILESCC(C)(C)c1ccccc1C(=O)CCC1CCCO1
InChIInChI=1S/C17H24O2/c1-17(2,3)15-9-5-4-8-14(15)16(18)11-10-13-7-6-12-19-13/h4-5,8-9,13H,6-7,10-12H2,1-3H3
InChIKeyWUGQZTKQZCYAGB-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.13
Rot. Bonds4

About 1-(2-tert-butylphenyl)-3-(oxolan-2-yl)propan-1-one

1-(2-tert-butylphenyl)-3-(oxolan-2-yl)propan-1-one (PubChem CID 114976956) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-3-(oxolan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-3-(oxolan-2-yl)propan-1-one
PubChem CID114976956
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name1-(2-tert-butylphenyl)-3-(oxolan-2-yl)propan-1-one
SMILESCC(C)(C)c1ccccc1C(=O)CCC1CCCO1
InChIInChI=1S/C17H24O2/c1-17(2,3)15-9-5-4-8-14(15)16(18)11-10-13-7-6-12-19-13/h4-5,8-9,13H,6-7,10-12H2,1-3H3
InChIKeyWUGQZTKQZCYAGB-UHFFFAOYSA-N
XLogP4.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-tert-butylphenyl)-3-(oxolan-2-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(oxolan-2-yl)-1-(2,4,5-trimethylphenyl)propan-1-one
CID 114975824
1-(2,3-difluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 107515192
1-(3-aminonaphthalen-2-yl)-3-(oxolan-2-yl)propan-1-one
CID 116560398
1-(2-aminophenyl)-4-(oxolan-2-yl)butan-1-one
CID 65166956
1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 65167153
1-(2-bromo-5-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 114976829
N-tert-butyl-2-[3-[(2S)-oxolan-2-yl]propanoylamino]benzamide
CID 94642296
3-(oxolan-2-yl)-1-quinolin-5-ylpropan-1-one
CID 115789835
1-(2-methyl-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one
CID 65154773
1-(1,2-dihydroacenaphthylen-5-yl)-3-(oxolan-2-yl)propan-1-one
CID 114939092
1-isoquinolin-4-yl-3-(oxan-2-yl)propan-1-one
CID 114971970
1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)propan-1-one
CID 65154683

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-3-(oxolan-2-yl)propan-1-one?
The IUPAC name of 1-(2-tert-butylphenyl)-3-(oxolan-2-yl)propan-1-one (CID 114976956) is 1-(2-tert-butylphenyl)-3-(oxolan-2-yl)propan-1-one.
What is the SMILES notation for 1-(2-tert-butylphenyl)-3-(oxolan-2-yl)propan-1-one?
The canonical SMILES for 1-(2-tert-butylphenyl)-3-(oxolan-2-yl)propan-1-one is CC(C)(C)c1ccccc1C(=O)CCC1CCCO1.
What is the InChIKey of 1-(2-tert-butylphenyl)-3-(oxolan-2-yl)propan-1-one?
The InChIKey is WUGQZTKQZCYAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-17(2,3)15-9-5-4-8-14(15)16(18)11-10-13-7-6-12-19-13/h4-5,8-9,13H,6-7,10-12H2,1-3H3.
What are the key properties of 1-(2-tert-butylphenyl)-3-(oxolan-2-yl)propan-1-one?
1-(2-tert-butylphenyl)-3-(oxolan-2-yl)propan-1-one has a molecular weight of 260.38 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-3-(oxolan-2-yl)propan-1-one is sourced from PubChem (CID 114976956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).