1-Iodo-4-(2,5-dimethoxy-3,4,6-trimethylphenyl)-4-phenylbutane

HCID 19088027
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Basic information

Standard SMILES
COc1c(C)c(C)c(OC)c(C(CCCI)c2ccccc2)c1C
InChIKey
KXUBJGMYNQRMRZ-UHFFFAOYSA-N
Molecular formula
C21H27IO2
Average molar mass
438.3 g/mol

Names & identifiers

Preferred name
1-Iodo-4-(2,5-dimethoxy-3,4,6-trimethylphenyl)-4-phenylbutane
IUPAC
1-(4-iodo-1-phenylbutyl)-2,5-dimethoxy-3,4,6-trimethylbenzene

Names & synonyms

SCHEMBL9310821KXUBJGMYNQRMRZ-UHFFFAOYSA-N1-iodo-4-(2,5-dimethoxy-3,4,6-trimethylphenyl)-4-phenylbutane

Database identifiers

PubChem CID
19088027

Properties

Computed structural properties

XLogP
7
Topological polar surface area
18.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
7
Heavy atoms
24

Related reactions

6 records
New reaction record

Linked notes

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