1-Hydroxy-2-methyl-1-phenyl-3-pentanone

HCID 546017

Notes Reactions

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Basic information

CAS: 55848-19-6
Standard SMILES: CCC(=O)C(C)C(O)c1ccccc1
InChIKey: DKBFVTWFAPHJFU-UHFFFAOYSA-N
Molecular formula: C12H16O2
Average molar mass: 192.25 g/mol
Monoisotopic mass: 192.11502975

Names & identifiers

Preferred name: 1-Hydroxy-2-methyl-1-phenyl-3-pentanone
IUPAC: 1-hydroxy-2-methyl-1-phenylpentan-3-one

Names & synonyms

1-Hydroxy-2-methyl-1-phenyl-3-pentanone55848-19-6DTXSID60338038RefChem:230844DTXCID902891251-hydroxy-2-methyl-1-phenylpentan-3-one3-Pentanone, 1-hydroxy-2-methyl-1-phenyl-SCHEMBL56578485-phenyl-5-hydroxy-4-methylpentan-3-one1-Hydroxy-2-methyl-1-phenyl-3-pentanone #

Database identifiers

CAS: 55848-19-6
PubChem CID: 546017
DTXSID: DTXSID60338038
Nikkaji: J264.355C

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 14
Formal charge: 0
Complexity: 183

Related reactions

2 records

New reaction record

HRID 22060As productuspto-grants-1995_06

HRID 144925As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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