Basic information
- Standard SMILES
CCCC(Sc1ccc(OC)cc1)C(=O)OCC- InChIKey
ZXEMOHZODGJZRR-UHFFFAOYSA-N- Molecular formula
- C14H20O3S
- Average molar mass
- 268.37 g/mol
Names & identifiers
- Preferred name
- 2-(4-Methoxy-phenylsulfanyl)pentanoic acid ethyl ester
- IUPAC
- ethyl 2-(4-methoxyphenyl)sulfanylpentanoate
Names & synonyms
SCHEMBL6929387ZXEMOHZODGJZRR-UHFFFAOYSA-NAKOS0175213182-(4-Methoxy-phenylsulfanyl)-pentanoic acid ethyl ester2-(4-Methoxy-phenylsulfanyl)pentanoic acid ethyl ester
Database identifiers
- PubChem CID
- 54570902
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 237
Related reactions
9 records
Linked notes
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