(+)-4-Octyloxy-4'-(1-butanoyloxyethyl)biphenyl

HCID 19857772
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Basic information

Standard SMILES
CCCCCCCCOc1ccc(-c2ccc(C(C)OC(=O)CCC)cc2)cc1
InChIKey
IQPJYQUTEJQTJR-UHFFFAOYSA-N
Molecular formula
C26H36O3
Average molar mass
396.6 g/mol

Names & identifiers

Preferred name
(+)-4-Octyloxy-4'-(1-butanoyloxyethyl)biphenyl
IUPAC
1-[4-(4-octoxyphenyl)phenyl]ethyl butanoate

Names & synonyms

SCHEMBL9805838IQPJYQUTEJQTJR-UHFFFAOYSA-N(+)-4-octyloxy-4'-(1-butanoyloxyethyl)biphenyl

Database identifiers

PubChem CID
19857772

Properties

Computed structural properties

XLogP
7.9
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
14
Heavy atoms
29

Related reactions

1 records
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Compound notes

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