4-hydroxy-4-methyl-6-phenylhexan-2-one

C13H18O2 — CID 101034765

IUPAC4-hydroxy-4-methyl-6-phenylhexan-2-one
SMILESCC(=O)CC(C)(O)CCc1ccccc1
InChIInChI=1S/C13H18O2/c1-11(14)10-13(2,15)9-8-12-6-4-3-5-7-12/h3-7,15H,8-10H2,1-2H3
InChIKeyXZWNAUXWRYNVCL-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.35
Rot. Bonds5

About 4-hydroxy-4-methyl-6-phenylhexan-2-one

4-hydroxy-4-methyl-6-phenylhexan-2-one (PubChem CID 101034765) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-hydroxy-4-methyl-6-phenylhexan-2-one.

Molecular Properties

Compound Name4-hydroxy-4-methyl-6-phenylhexan-2-one
PubChem CID101034765
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name4-hydroxy-4-methyl-6-phenylhexan-2-one
SMILESCC(=O)CC(C)(O)CCc1ccccc1
InChIInChI=1S/C13H18O2/c1-11(14)10-13(2,15)9-8-12-6-4-3-5-7-12/h3-7,15H,8-10H2,1-2H3
InChIKeyXZWNAUXWRYNVCL-UHFFFAOYSA-N
XLogP2.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-4-methyl-5-phenylpentan-2-one
CID 121010182
2-hydroxy-4-oxo-2-(2-phenylethyl)pentanoic acid
CID 22937872
ethyl (3R)-3-hydroxy-3-methyl-5-phenylpentanoate
CID 155931906
4-hydroxy-4-(2-phenylethyl)heptan-2-one
CID 59072553
2-methyl-1,4-diphenylbutan-2-ol
CID 103642101
(3-hydroxy-3-methyl-5-phenylpentyl) acetate
CID 14382134
4,4-dimethyl-7-phenylheptane-2,5-dione
CID 166439938
3,5-dimethyl-1-phenylhexan-3-ol
CID 12643765
2-methyl-3-oxo-2-(2-phenylethyl)butanoic acid
CID 174626222
5-(4-aminophenyl)-3-hydroxy-3-methylpentanoic acid
CID 18736900
2,2-dimethyl-4-phenylbutanoyl chloride
CID 121009879
4-hydroxy-4-methyl-6-phenylhexan-3-one
CID 145233910

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-methyl-6-phenylhexan-2-one?
The IUPAC name of 4-hydroxy-4-methyl-6-phenylhexan-2-one (CID 101034765) is 4-hydroxy-4-methyl-6-phenylhexan-2-one.
What is the SMILES notation for 4-hydroxy-4-methyl-6-phenylhexan-2-one?
The canonical SMILES for 4-hydroxy-4-methyl-6-phenylhexan-2-one is CC(=O)CC(C)(O)CCc1ccccc1.
What is the InChIKey of 4-hydroxy-4-methyl-6-phenylhexan-2-one?
The InChIKey is XZWNAUXWRYNVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-11(14)10-13(2,15)9-8-12-6-4-3-5-7-12/h3-7,15H,8-10H2,1-2H3.
What are the key properties of 4-hydroxy-4-methyl-6-phenylhexan-2-one?
4-hydroxy-4-methyl-6-phenylhexan-2-one has a molecular weight of 206.29 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-methyl-6-phenylhexan-2-one is sourced from PubChem (CID 101034765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).