1-Propanone, 2-hydroxy-2-methyl-1-(4-(1-methylethyl)phenyl)-

HCID 112291CAS 69673-85-4

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Basic information

Standard SMILES: CC(C)c1ccc(C(=O)C(C)(C)O)cc1
InChIKey: QPXVRLXJHPTCPW-UHFFFAOYSA-N
Molecular formula: C13H18O2
Average molar mass: 206.28 g/mol
Monoisotopic mass: 206.13067982

Names & identifiers

Preferred name: 1-Propanone, 2-hydroxy-2-methyl-1-(4-(1-methylethyl)phenyl)-
IUPAC: 2-hydroxy-2-methyl-1-(4-propan-2-ylphenyl)propan-1-one
English name: 1-(4-ISOPROPYLPHENYL)-2-HYDROXY-2-METHYL-1-PROPANONE
Molecular formula: C13H18O2
Molecular weight: 206.28

Names & synonyms

1-Propanone, 2-hydroxy-2-methyl-1-[4-(1-methylethyl)phenyl]-EINECS 274-073-4DTXSID20719901-(4'-Isopropylphenyl)-2-hydroxy-2-methylpropanone1-Propanone, 2-hydroxy-2-methyl-1-(4-(1-methylethyl)phenyl)-RefChem:436324DTXCID204654369673-85-42-Hydroxy-1-(4-isopropylphenyl)-2-methylpropan-1-one2-hydroxy-2-methyl-1-(4-propan-2-ylphenyl)propan-1-one1-(4-ISOPROPYLPHENYL)-2-HYDROXY-2-METHYL-1-PROPANONE2-hydroxy-2-methyl-1-[4-(propan-2-yl)phenyl]propan-1-one

Show more names

α-Methyl-α-hydroxy-4'-isopropylpropiophenoneα-Hydroxy-4'-isopropyl-α-methylpropiophenone1-(4-Isopropylpheny)-2-hydroxy-2-methyl-1-propanone1-(4-Isopropylphenyl)-2-hydroxy-2-methylpropane-1-one2-Hydroxy-2-methyl-1-(4-(1-methylethyl)-phenyl)-1-propanone

2-Hydroxy-4'-isopropyl-2-methylpropiophenoneSCHEMBL54909UCA67385DA-20045NS00022703EN300-200266p-isopropyl-2-hydroxy-2,2-dimethylacetophenone1-(4-isopropylphenyl)-2-hydroxy-2-methylpropan-1-one

Database identifiers

CAS: 69673-85-4
PubChem CID: 112291
DTXSID: DTXSID2071990
EC Number: 274-073-4
Nikkaji: J30.896J

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 223

Physicochemical properties

Boiling point: 323.1 · 323.1±17.0 °C(Predicted)
Density: 1.023 · 1.023±0.06 g/cm3(Predicted)
pka: 12.94 · 12.94±0.29(Predicted)
InChI: InChI=1S/C13H18O2/c1-9(2)10-5-7-11(8-6-10)12(14)13(3,4)15/h5-9,15H,1-4H3
InChIKey: QPXVRLXJHPTCPW-UHFFFAOYSA-N
SMILES: C(C1=CC=C(C(C)C)C=C1)(=O)C(O)(C)C
EPA Substance Registry System: 1 · 1-Propanone, 2-hydroxy-2-methyl-1-[4-(1-methylethyl)phenyl]- (69673-85-4)
TSCA: TSCA listed