5-[4-(2-Methylpropyl)phenyl]-5-oxopentanoic acid

HCID 185074

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Basic information

CAS: 91121-69-6
Standard SMILES: CC(C)Cc1ccc(C(=O)CCCC(=O)O)cc1
InChIKey: FTNSWCSNSCCRNE-UHFFFAOYSA-N
Molecular formula: C15H20O3
Average molar mass: 248.32 g/mol
Monoisotopic mass: 248.1412445

Names & identifiers

Preferred name: 5-[4-(2-Methylpropyl)phenyl]-5-oxopentanoic acid
IUPAC: 5-[4-(2-methylpropyl)phenyl]-5-oxopentanoic acid

Names & synonyms

91121-69-65-(4-iso-Butylphenyl)-5-oxovaleric acid5-[4-(2-methylpropyl)phenyl]-5-oxopentanoic acid5-(4-Isobutylphenyl)-5-oxopentanoic acid5-(4-(2-Methylpropyl)phenyl)-5-oxopentanoic acidMFCD11541330Pantanoic acid, 5-(4-(2-methylpropyl)phenyl)-5-oxo-DTXSID902384165-(4-Isobutylphenyl)-5-oxopentanoicacid5-(4-isobutylphenyl)-5-oxo-pentanoic acidF397208

Database identifiers

CAS: 91121-69-6
PubChem CID: 185074
DTXSID: DTXSID90238416

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 54.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 18
Formal charge: 0
Complexity: 275

Experimental & physicochemical properties

LogP3.39

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