4-hydroxy-4-methyl-5-phenylpentan-2-one

C12H16O2 — CID 121010182

IUPAC4-hydroxy-4-methyl-5-phenylpentan-2-one
SMILESCC(=O)CC(C)(O)Cc1ccccc1
InChIInChI=1S/C12H16O2/c1-10(13)8-12(2,14)9-11-6-4-3-5-7-11/h3-7,14H,8-9H2,1-2H3
InChIKeyYVGGSMXBOGHGLA-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.96
Rot. Bonds4

About 4-hydroxy-4-methyl-5-phenylpentan-2-one

4-hydroxy-4-methyl-5-phenylpentan-2-one (PubChem CID 121010182) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-hydroxy-4-methyl-5-phenylpentan-2-one.

Molecular Properties

Compound Name4-hydroxy-4-methyl-5-phenylpentan-2-one
PubChem CID121010182
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name4-hydroxy-4-methyl-5-phenylpentan-2-one
SMILESCC(=O)CC(C)(O)Cc1ccccc1
InChIInChI=1S/C12H16O2/c1-10(13)8-12(2,14)9-11-6-4-3-5-7-11/h3-7,14H,8-9H2,1-2H3
InChIKeyYVGGSMXBOGHGLA-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-methyl-1,4-diphenylbutan-2-ol
CID 103642101
(2S)-4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol
CID 672914
2,2-dichloroacetic acid;2-methyl-1-phenylbutan-2-ol
CID 174708997
(2R)-2-hydroxy-2-methyl-3-phenylpropanamide
CID 11389739
4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol;hydrochloride
CID 50985676
4-(4-bromophenyl)-3-hydroxy-3-methylbutanoic acid
CID 82488625
2-methyl-1-phenylhex-5-en-2-ol
CID 104656177
4,4-dimethylhexan-2-one;ethylbenzene
CID 143079929
3,3-dibromo-4-phenylbutan-2-one
CID 20690158
2-dimethylsilyl-2-methyl-3-phenylpropanoic acid
CID 150192897

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-methyl-5-phenylpentan-2-one?
The IUPAC name of 4-hydroxy-4-methyl-5-phenylpentan-2-one (CID 121010182) is 4-hydroxy-4-methyl-5-phenylpentan-2-one.
What is the SMILES notation for 4-hydroxy-4-methyl-5-phenylpentan-2-one?
The canonical SMILES for 4-hydroxy-4-methyl-5-phenylpentan-2-one is CC(=O)CC(C)(O)Cc1ccccc1.
What is the InChIKey of 4-hydroxy-4-methyl-5-phenylpentan-2-one?
The InChIKey is YVGGSMXBOGHGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-10(13)8-12(2,14)9-11-6-4-3-5-7-11/h3-7,14H,8-9H2,1-2H3.
What are the key properties of 4-hydroxy-4-methyl-5-phenylpentan-2-one?
4-hydroxy-4-methyl-5-phenylpentan-2-one has a molecular weight of 192.26 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-methyl-5-phenylpentan-2-one is sourced from PubChem (CID 121010182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).