2-(4-Methylbenzyl)-8-(alpha-methoxy-4-methylbenzyl)cyclooctanone

HCID 3045396

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Basic information

CAS: 53774-91-7
Standard SMILES: COC(c1ccc(C)cc1)C1CCCCCC(Cc2ccc(C)cc2)C1=O
InChIKey: VQXHCMOQIMFXEM-UHFFFAOYSA-N
Molecular formula: C25H32O2
Average molar mass: 364.5 g/mol
Monoisotopic mass: 364.24023026

Names & identifiers

Preferred name: 2-(4-Methylbenzyl)-8-(alpha-methoxy-4-methylbenzyl)cyclooctanone
IUPAC: 2-[methoxy-(4-methylphenyl)methyl]-8-[(4-methylphenyl)methyl]cyclooctan-1-one

Names & synonyms

53774-91-72-(4-Methylbenzyl)-8-(alpha-methoxy-4-methylbenzyl)cyclooctanoneDTXSID609685512-(Methoxy(4-methylphenyl)methyl)-8-((4-methylphenyl)methyl)cyclooctanoneCyclooctanone, 2-(methoxy(4-methylphenyl)methyl)-8-((4-methylphenyl)methyl)-2-[Methoxy(4-methylphenyl)methyl]-8-[(4-methylphenyl)methyl]cyclooctan-1-one

Database identifiers

CAS: 53774-91-7
PubChem CID: 3045396
DTXSID: DTXSID60968551

Properties

Computed structural properties

XLogP: 6.2
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 27
Formal charge: 0
Complexity: 443

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