5-Methoxy-6-(1-phenylethyl)-1,3-benzodioxole

HCID 336337
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Basic information

CAS
71712-21-5
Standard SMILES
COc1cc2c(cc1C(C)c1ccccc1)OCO2
InChIKey
KWFLPGKFDUABEW-UHFFFAOYSA-N
Molecular formula
C16H16O3
Average molar mass
256.3 g/mol
Monoisotopic mass
256.10994437

Names & identifiers

Preferred name
5-Methoxy-6-(1-phenylethyl)-1,3-benzodioxole
IUPAC
5-methoxy-6-(1-phenylethyl)-1,3-benzodioxole

Names & synonyms

71712-21-55-methoxy-6-(1-phenylethyl)-1,3-benzodioxoleNSC350101CHEMBL297023SCHEMBL11083004DTXSID30319758KWFLPGKFDUABEW-UHFFFAOYSA-NNSC-3501015-Methoxy-6-(1-phenylethyl)-2H-1,3-benzodioxole(alpha-Methylbenzyl)-3,4-methylenedioxy-6-methoxybenzene

Database identifiers

CAS
71712-21-5
PubChem CID
336337
DTXSID
DTXSID30319758
ChEMBL
CHEMBL297023

Properties

Computed structural propertiesFilling in

XLogP
4
Topological polar surface area
27.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
19

Related reactions

3 records
New reaction record

Compound notes

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