2-[1-(12-Bromo-dodecyl)-2-methyl-1H-indol-4-yloxy]-3-methylbutyric acid ethyl ester

HCID 68547745
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Basic information

Standard SMILES
CCOC(=O)C(Oc1cccc2c1cc(C)n2CCCCCCCCCCCCBr)C(C)C
InChIKey
QXSMJPSIWOCEHV-UHFFFAOYSA-N
Molecular formula
C28H44BrNO3
Average molar mass
522.6 g/mol
Monoisotopic mass
521.25046

Names & identifiers

Preferred name
2-[1-(12-Bromo-dodecyl)-2-methyl-1H-indol-4-yloxy]-3-methylbutyric acid ethyl ester
IUPAC
ethyl 2-[1-(12-bromododecyl)-2-methylindol-4-yl]oxy-3-methylbutanoate

Names & synonyms

SCHEMBL3201208QXSMJPSIWOCEHV-UHFFFAOYSA-N2-[1-(12-Bromo-dodecyl)-2-methyl-1H-indol-4-yloxy]-3-methylbutyric acid ethyl ester

Database identifiers

PubChem CID
68547745

Properties

Computed structural properties

XLogP
9.4
Topological polar surface area
40.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
18
Heavy atoms
33

Related reactions

2 records
New reaction record

Compound notes

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