(3-Phenoxyphenyl)methyl octahydro-3aH-4,7-methanoindene-3a-carboxylate
Basic information
- CAS
93107-37-0- Standard SMILES
O=C(OCc1cccc(Oc2ccccc2)c1)[C@@]12CCC[C@@H]1[C@@H]1CC[C@H]2C1- InChIKey
GKKPVCZGMYTMRM-OMXLDXBASA-N- Molecular formula
- C24H26O3
- Average molar mass
- 362.5 g/mol
- Monoisotopic mass
- 362.18819469
Names & identifiers
- Preferred name
- (3-Phenoxyphenyl)methyl octahydro-3aH-4,7-methanoindene-3a-carboxylate
- IUPAC
- (3-phenoxyphenyl)methyl (1S,2R,6R,7R)-tricyclo[5.2.1.02,6]decane-2-carboxylate
Names & synonyms
93107-37-0DTXSID30918689(3-Phenoxyphenyl)methyl octahydro-3aH-4,7-methanoindene-3a-carboxylate(3-Phenoxyphenyl)methyl (3aR,4S,7R,7aR)-octahydro-3aH-4,7-methanoindene-3a-carboxylate4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, (3-phenoxyphenyl)methyl ester, (3aalpha,4alpha,7alpha,7aalpha)-
Database identifiers
- CAS
93107-37-0- PubChem CID
- 185237
- DTXSID
DTXSID30918689
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 540
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Compound notes
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