2-methyl-2-(oxan-2-yloxy)-1-phenylpropan-1-one

C15H20O3 — CID 22163386

IUPAC2-methyl-2-(oxan-2-yloxy)-1-phenylpropan-1-one
SMILESCC(C)(OC1CCCCO1)C(=O)c1ccccc1
InChIInChI=1S/C15H20O3/c1-15(2,18-13-10-6-7-11-17-13)14(16)12-8-4-3-5-9-12/h3-5,8-9,13H,6-7,10-11H2,1-2H3
InChIKeyGGZMLYQEDQRSKP-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.19
Rot. Bonds4

About 2-methyl-2-(oxan-2-yloxy)-1-phenylpropan-1-one

2-methyl-2-(oxan-2-yloxy)-1-phenylpropan-1-one (PubChem CID 22163386) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-methyl-2-(oxan-2-yloxy)-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-methyl-2-(oxan-2-yloxy)-1-phenylpropan-1-one
PubChem CID22163386
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name2-methyl-2-(oxan-2-yloxy)-1-phenylpropan-1-one
SMILESCC(C)(OC1CCCCO1)C(=O)c1ccccc1
InChIInChI=1S/C15H20O3/c1-15(2,18-13-10-6-7-11-17-13)14(16)12-8-4-3-5-9-12/h3-5,8-9,13H,6-7,10-11H2,1-2H3
InChIKeyGGZMLYQEDQRSKP-UHFFFAOYSA-N
XLogP3.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S)-2-(oxan-2-yloxy)-2-phenylpropanoate
CID 100974309
1-(4-benzoylphenyl)-2-hydroxy-2-methyl-3-(oxolan-2-yloxy)propan-1-one
CID 19878501
2-cyclohexyl-2,2-dimethoxy-1-phenylethanone
CID 139798779
2-methyl-N-(oxan-2-yloxy)-1-phenylprop-1-en-1-amine
CID 117061304
2-[2-(oxan-2-yloxy)propan-2-yloxy]oxane
CID 18680583
8-(oxan-2-yloxy)octyl benzoate
CID 11551737
2-[4-(1,2,2-triphenylethenyl)phenoxy]oxane
CID 11247479
2,2,4-trimethyl-4-(oxan-2-yloxy)pentanoic acid
CID 167254183
2-(oxan-2-yloxy)-2-(pyridin-2-ylmethyl)propanedioic acid
CID 19075919
4-(oxan-2-yloxy)benzoic acid
CID 11183645
[(3R,4R,5R,6R)-4,5,6-tribenzoyloxy-7-(oxan-2-yloxy)heptan-3-yl] benzoate
CID 90294852
oxan-2-yl 3-phenylpropanoate
CID 10609743

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(oxan-2-yloxy)-1-phenylpropan-1-one?
The IUPAC name of 2-methyl-2-(oxan-2-yloxy)-1-phenylpropan-1-one (CID 22163386) is 2-methyl-2-(oxan-2-yloxy)-1-phenylpropan-1-one.
What is the SMILES notation for 2-methyl-2-(oxan-2-yloxy)-1-phenylpropan-1-one?
The canonical SMILES for 2-methyl-2-(oxan-2-yloxy)-1-phenylpropan-1-one is CC(C)(OC1CCCCO1)C(=O)c1ccccc1.
What is the InChIKey of 2-methyl-2-(oxan-2-yloxy)-1-phenylpropan-1-one?
The InChIKey is GGZMLYQEDQRSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-15(2,18-13-10-6-7-11-17-13)14(16)12-8-4-3-5-9-12/h3-5,8-9,13H,6-7,10-11H2,1-2H3.
What are the key properties of 2-methyl-2-(oxan-2-yloxy)-1-phenylpropan-1-one?
2-methyl-2-(oxan-2-yloxy)-1-phenylpropan-1-one has a molecular weight of 248.32 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(oxan-2-yloxy)-1-phenylpropan-1-one is sourced from PubChem (CID 22163386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).