Basic information
- Standard SMILES
COC(=O)C1=Cc2cc(OC3CCOCC3)ccc2CCC1- InChIKey
YFMSROFNAHXZMG-UHFFFAOYSA-N- Molecular formula
- C18H22O4
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.15180918
Names & identifiers
- Preferred name
- methyl 2-[(tetrahydropyran-4-yl)oxy]-6,7-dihydro-5H-benzocycloheptene-8-carboxylate
- IUPAC
- methyl 3-(oxan-4-yloxy)-8,9-dihydro-7H-benzo[7]annulene-6-carboxylate
Names & synonyms
SCHEMBL7218027YFMSROFNAHXZMG-UHFFFAOYSA-Nmethyl 2-[(tetrahydropyran-4-yl)oxy]-6,7-dihydro-5H-benzocycloheptene-8-carboxylate
Database identifiers
- PubChem CID
- 22989939
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 411
Related reactions
4 records
Compound notes
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