(S,S)-1-(3-Methoxy-phenyl)-7-oxa-bicyclo[4.1.0]heptane

HCID 23519630
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Basic information

Standard SMILES
COc1cccc([C@@]23CCCC[C@@H]2O3)c1
InChIKey
GMTFMAPPOLHARI-STQMWFEESA-N
Molecular formula
C13H16O2
Average molar mass
204.26 g/mol

Names & identifiers

Preferred name
(S,S)-1-(3-Methoxy-phenyl)-7-oxa-bicyclo[4.1.0]heptane
IUPAC
(1S,6S)-1-(3-methoxyphenyl)-7-oxabicyclo[4.1.0]heptane

Names & synonyms

SCHEMBL6848853GMTFMAPPOLHARI-STQMWFEESA-N(S,S)-1-(3-Methoxy-phenyl)-7-oxa-bicyclo[4.1.0]heptane

Database identifiers

PubChem CID
23519630

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
21.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
15

Related reactions

1 records
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Compound notes

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