3-(p-Methoxybenzyl)-4-(p-methoxyphenyl)hexane

HCID 20545

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Basic information

CAS: 4468-39-7
Standard SMILES: CCC(Cc1ccc(OC)cc1)C(CC)c1ccc(OC)cc1
InChIKey: VTMTVAPRBUVDRK-UHFFFAOYSA-N
Molecular formula: C21H28O2
Average molar mass: 312.4 g/mol
Monoisotopic mass: 312.20893013

Names & identifiers

Preferred name: 3-(p-Methoxybenzyl)-4-(p-methoxyphenyl)hexane
IUPAC: 1-[2-ethyl-3-(4-methoxyphenyl)pentyl]-4-methoxybenzene

Names & synonyms

3-(p-Methoxybenzyl)-4-(p-methoxyphenyl)hexane4468-39-7Compound 77/735CDRI 77/735BRN 32146771-[2-ethyl-3-(4-methoxyphenyl)pentyl]-4-methoxybenzene3-06-00-05532 (Beilstein Handbook Reference)DTXSID80963265HEXANE, 3-(p-METHOXYBENZYL)-4-(p-METHOXYPHENYL)-Benzene, 1,1'-(1,2-diethyl-1,3-propanediyl)bis(4-methoxy-

Database identifiers

CAS: 4468-39-7
PubChem CID: 20545
DTXSID: DTXSID80963265
Nikkaji: J73.699F

Properties

Computed structural properties

XLogP: 6.3
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 8
Heavy atoms: 23
Formal charge: 0
Complexity: 301

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