1-hydroxy-4-methyl-3-phenylpentan-2-one

C12H16O2 — CID 46916077

IUPAC1-hydroxy-4-methyl-3-phenylpentan-2-one
SMILESCC(C)C(C(=O)CO)c1ccccc1
InChIInChI=1S/C12H16O2/c1-9(2)12(11(14)8-13)10-6-4-3-5-7-10/h3-7,9,12-13H,8H2,1-2H3
InChIKeyXUKPWIZOLMVOLF-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.99
Rot. Bonds4

About 1-hydroxy-4-methyl-3-phenylpentan-2-one

1-hydroxy-4-methyl-3-phenylpentan-2-one (PubChem CID 46916077) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-hydroxy-4-methyl-3-phenylpentan-2-one.

Molecular Properties

Compound Name1-hydroxy-4-methyl-3-phenylpentan-2-one
PubChem CID46916077
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-hydroxy-4-methyl-3-phenylpentan-2-one
SMILESCC(C)C(C(=O)CO)c1ccccc1
InChIInChI=1S/C12H16O2/c1-9(2)12(11(14)8-13)10-6-4-3-5-7-10/h3-7,9,12-13H,8H2,1-2H3
InChIKeyXUKPWIZOLMVOLF-UHFFFAOYSA-N
XLogP1.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3-methyl-2-phenylbutanoic acid
CID 7290444
(3R)-4-methyl-3-phenylpentan-2-one
CID 7018943
(3-methyl-2-phenylbutanoyl) 3-methyl-2-phenylbutaneperoxoate
CID 18381033
(5R)-6-methyl-1-[2-[2-[(5S)-6-methyl-4-oxo-5-phenylheptoxy]ethoxy]ethoxy]-5-phenylheptan-4-one
CID 161483364
(2S)-2-[(3-methyl-2-phenylbutanoyl)amino]propanoic acid
CID 119942798
4-methyl-2,3-diphenylpentanoic acid
CID 13280236
4-(3-chlorophenyl)-5-methylhexan-3-one
CID 83924568
(2R)-3-methyl-N-[2-[2-[[(2S)-3-methyl-2-phenylbutanoyl]amino]ethoxy]ethyl]-2-phenylbutanamide
CID 122660054
(2R,3R)-N,N',2-trimethyl-3-phenylbutanediamide
CID 15177727
N-(2-hydroxy-3-phenylpropyl)-3-methyl-2-phenylbutanamide
CID 111477366
4-methyl-3-phenylpentanoic acid
CID 3249521
2-phenyl-3-sulfanylbutanoic acid
CID 22460484

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-methyl-3-phenylpentan-2-one?
The IUPAC name of 1-hydroxy-4-methyl-3-phenylpentan-2-one (CID 46916077) is 1-hydroxy-4-methyl-3-phenylpentan-2-one.
What is the SMILES notation for 1-hydroxy-4-methyl-3-phenylpentan-2-one?
The canonical SMILES for 1-hydroxy-4-methyl-3-phenylpentan-2-one is CC(C)C(C(=O)CO)c1ccccc1.
What is the InChIKey of 1-hydroxy-4-methyl-3-phenylpentan-2-one?
The InChIKey is XUKPWIZOLMVOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-9(2)12(11(14)8-13)10-6-4-3-5-7-10/h3-7,9,12-13H,8H2,1-2H3.
What are the key properties of 1-hydroxy-4-methyl-3-phenylpentan-2-one?
1-hydroxy-4-methyl-3-phenylpentan-2-one has a molecular weight of 192.26 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-methyl-3-phenylpentan-2-one is sourced from PubChem (CID 46916077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).