3-methyl-1-(oxolan-3-yl)-2-phenylpentan-1-one

C16H22O2 — CID 114972015

IUPAC3-methyl-1-(oxolan-3-yl)-2-phenylpentan-1-one
SMILESCCC(C)C(C(=O)C1CCOC1)c1ccccc1
InChIInChI=1S/C16H22O2/c1-3-12(2)15(13-7-5-4-6-8-13)16(17)14-9-10-18-11-14/h4-8,12,14-15H,3,9-11H2,1-2H3
InChIKeySOWPWDFZTGTZHO-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.42
Rot. Bonds5

About 3-methyl-1-(oxolan-3-yl)-2-phenylpentan-1-one

3-methyl-1-(oxolan-3-yl)-2-phenylpentan-1-one (PubChem CID 114972015) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-methyl-1-(oxolan-3-yl)-2-phenylpentan-1-one.

Molecular Properties

Compound Name3-methyl-1-(oxolan-3-yl)-2-phenylpentan-1-one
PubChem CID114972015
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name3-methyl-1-(oxolan-3-yl)-2-phenylpentan-1-one
SMILESCCC(C)C(C(=O)C1CCOC1)c1ccccc1
InChIInChI=1S/C16H22O2/c1-3-12(2)15(13-7-5-4-6-8-13)16(17)14-9-10-18-11-14/h4-8,12,14-15H,3,9-11H2,1-2H3
InChIKeySOWPWDFZTGTZHO-UHFFFAOYSA-N
XLogP3.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(oxan-3-yl)-2-phenylbutan-1-one
CID 107138534
2-amino-3-methyl-1-(oxolan-3-yl)pentan-1-one
CID 116552686
(2-oxo-1-phenylethyl) oxolane-3-carboxylate
CID 175948348
1-(2,3-dihydrofuran-5-yl)-3-methyl-2-phenylpentan-1-one
CID 102652750
5-methyl-4-phenylhept-1-yn-3-one
CID 114978498
1-cyclohexyl-4-methyl-3-phenylhexan-2-one
CID 114967641
methyl (2S)-2-(N-[(3S)-oxolane-3-carbonyl]anilino)butanoate
CID 129379975
ethyl (3S)-3-(oxolane-3-carbonylamino)-3-phenylpropanoate
CID 58782549
2-methyl-1-[(3S)-oxolan-3-yl]propan-1-one
CID 58423021
tert-butyl 3-methyl-2-phenylpentanoate
CID 63896641
1-(oxolan-3-yl)-2-pyridin-4-ylpropan-1-one
CID 66469229
(3R)-N-[5-[(1R)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide
CID 95614654

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(oxolan-3-yl)-2-phenylpentan-1-one?
The IUPAC name of 3-methyl-1-(oxolan-3-yl)-2-phenylpentan-1-one (CID 114972015) is 3-methyl-1-(oxolan-3-yl)-2-phenylpentan-1-one.
What is the SMILES notation for 3-methyl-1-(oxolan-3-yl)-2-phenylpentan-1-one?
The canonical SMILES for 3-methyl-1-(oxolan-3-yl)-2-phenylpentan-1-one is CCC(C)C(C(=O)C1CCOC1)c1ccccc1.
What is the InChIKey of 3-methyl-1-(oxolan-3-yl)-2-phenylpentan-1-one?
The InChIKey is SOWPWDFZTGTZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-3-12(2)15(13-7-5-4-6-8-13)16(17)14-9-10-18-11-14/h4-8,12,14-15H,3,9-11H2,1-2H3.
What are the key properties of 3-methyl-1-(oxolan-3-yl)-2-phenylpentan-1-one?
3-methyl-1-(oxolan-3-yl)-2-phenylpentan-1-one has a molecular weight of 246.35 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(oxolan-3-yl)-2-phenylpentan-1-one is sourced from PubChem (CID 114972015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).