5-Methoxy-6-(2-phenylpropan-2-yl)-1,3-benzodioxole

HCID 336334

Basic information

CAS
71712-26-0
Standard SMILES
COc1cc2c(cc1C(C)(C)c1ccccc1)OCO2
InChIKey
WTDMMCYOFGIVJK-UHFFFAOYSA-N
Molecular formula
C17H18O3
Average molar mass
270.32 g/mol
Monoisotopic mass
270.12559444

Names & identifiers

Preferred name
5-Methoxy-6-(2-phenylpropan-2-yl)-1,3-benzodioxole
IUPAC
5-methoxy-6-(2-phenylpropan-2-yl)-1,3-benzodioxole

Names & synonyms

71712-26-05-methoxy-6-(2-phenylpropan-2-yl)-1,3-benzodioxoleNSC350098CHEMBL45670SCHEMBL11092097DTXSID50319755WTDMMCYOFGIVJK-UHFFFAOYSA-NNSC-3500985-Methoxy-6-(2-phenylpropan-2-yl)-2H-1,3-benzodioxole(alpha,alpha-Dimethylbenzyl)-3,4-methylenedioxy-6-methoxybenzene

Database identifiers

CAS
71712-26-0
PubChem CID
336334
DTXSID
DTXSID50319755
ChEMBL
CHEMBL45670

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
27.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
20

Related reactions

3 records

Compound notes

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