2-hydroxy-2-methyl-1-phenyl-3-propan-2-yloxypropan-1-one

C13H18O3 — CID 19878495

IUPAC2-hydroxy-2-methyl-1-phenyl-3-propan-2-yloxypropan-1-one
SMILESCC(C)OCC(C)(O)C(=O)c1ccccc1
InChIInChI=1S/C13H18O3/c1-10(2)16-9-13(3,15)12(14)11-7-5-4-6-8-11/h4-8,10,15H,9H2,1-3H3
InChIKeyVNZQXNBRHVLIEO-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.05
Rot. Bonds5

About 2-hydroxy-2-methyl-1-phenyl-3-propan-2-yloxypropan-1-one

2-hydroxy-2-methyl-1-phenyl-3-propan-2-yloxypropan-1-one (PubChem CID 19878495) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-1-phenyl-3-propan-2-yloxypropan-1-one.

Molecular Properties

Compound Name2-hydroxy-2-methyl-1-phenyl-3-propan-2-yloxypropan-1-one
PubChem CID19878495
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name2-hydroxy-2-methyl-1-phenyl-3-propan-2-yloxypropan-1-one
SMILESCC(C)OCC(C)(O)C(=O)c1ccccc1
InChIInChI=1S/C13H18O3/c1-10(2)16-9-13(3,15)12(14)11-7-5-4-6-8-11/h4-8,10,15H,9H2,1-3H3
InChIKeyVNZQXNBRHVLIEO-UHFFFAOYSA-N
XLogP2.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(difluoromethoxy)-2-methyl-1-phenylpropan-1-one
CID 66790366
3-(dimethylamino)-2-hydroxy-2-methyl-1-phenylpropan-1-one
CID 20547331
2,5-dihydroxy-2-methyl-1-phenylpentan-1-one
CID 175459425
2-hydroxy-2-methyl-1-phenylpropan-1-one;sulfane
CID 70599278
2-hydroxy-2-methyl-1-(4-phenoxyphenyl)-3-trimethylsilyloxypropan-1-one
CID 19878471
2-(2-benzyl-2-hydroxy-3-phenylpropoxy)-1-phenylpropan-1-one
CID 15163839
1-phenyl-2-(2-propan-2-yloxyethoxy)butan-1-one
CID 43799153
(2R)-2-hydroxy-2-methyl-3-oxo-3-phenylpropanoic acid
CID 97115094
1-(4-benzoylphenyl)-2-hydroxy-2-methyl-3-(oxolan-2-yloxy)propan-1-one
CID 19878501
4-ethoxy-5-(2-ethoxyphenyl)-2-hydroxy-2-methyl-1-phenylpentane-1,5-dione
CID 91392641
2,2-dihydroxy-1-phenylbutan-1-one
CID 57064047
2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-phenylpropan-1-one
CID 112588356

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-1-phenyl-3-propan-2-yloxypropan-1-one?
The IUPAC name of 2-hydroxy-2-methyl-1-phenyl-3-propan-2-yloxypropan-1-one (CID 19878495) is 2-hydroxy-2-methyl-1-phenyl-3-propan-2-yloxypropan-1-one.
What is the SMILES notation for 2-hydroxy-2-methyl-1-phenyl-3-propan-2-yloxypropan-1-one?
The canonical SMILES for 2-hydroxy-2-methyl-1-phenyl-3-propan-2-yloxypropan-1-one is CC(C)OCC(C)(O)C(=O)c1ccccc1.
What is the InChIKey of 2-hydroxy-2-methyl-1-phenyl-3-propan-2-yloxypropan-1-one?
The InChIKey is VNZQXNBRHVLIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-10(2)16-9-13(3,15)12(14)11-7-5-4-6-8-11/h4-8,10,15H,9H2,1-3H3.
What are the key properties of 2-hydroxy-2-methyl-1-phenyl-3-propan-2-yloxypropan-1-one?
2-hydroxy-2-methyl-1-phenyl-3-propan-2-yloxypropan-1-one has a molecular weight of 222.28 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-1-phenyl-3-propan-2-yloxypropan-1-one is sourced from PubChem (CID 19878495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).