Basic information
- Standard SMILES
CCCCOc1ccc(C(=O)O)c(CCO)c1- InChIKey
CSSMYANDIMXHPD-UHFFFAOYSA-N- Molecular formula
- C13H18O4
- Average molar mass
- 238.28 g/mol
- Monoisotopic mass
- 238.12050905
Names & identifiers
- Preferred name
- 4-Butoxy-2-(2-hydroxyethyl)benzoic acid
- IUPAC
- 4-butoxy-2-(2-hydroxyethyl)benzoic acid
Names & synonyms
4-butoxy-2-(2-hydroxyethyl)benzoic acidSCHEMBL1022635CSSMYANDIMXHPD-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 66879475
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 229
Related reactions
1 records
Compound notes
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