4-(1-Methylpropoxy)phenyl 4-(12-bromododecyloxy)benzoate

HCID 19734059
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Basic information

Standard SMILES
CCC(C)Oc1ccc(OC(=O)c2ccc(OCCCCCCCCCCCCBr)cc2)cc1
InChIKey
ZEZCWTIQYROKNB-UHFFFAOYSA-N
Molecular formula
C29H41BrO4
Average molar mass
533.5 g/mol

Names & identifiers

Preferred name
4-(1-Methylpropoxy)phenyl 4-(12-bromododecyloxy)benzoate
IUPAC
(4-butan-2-yloxyphenyl) 4-(12-bromododecoxy)benzoate

Names & synonyms

SCHEMBL9455772ZEZCWTIQYROKNB-UHFFFAOYSA-N4-(1-methylpropoxy)phenyl 4-(12-bromododecyloxy)benzoate

Database identifiers

PubChem CID
19734059

Properties

Computed structural properties

XLogP
10
Topological polar surface area
44.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
19
Heavy atoms
34

Related reactions

3 records
New reaction record

Linked notes

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