Basic information
- CAS
14503-28-7- Standard SMILES
CCCCc1ccc(O)c(O)c1O- InChIKey
GQXLTCORASWCDH-UHFFFAOYSA-N- Molecular formula
- C10H14O3
- Average molar mass
- 182.22 g/mol
- Monoisotopic mass
- 182.0942943
Names & identifiers
- Preferred name
- 4-Butylbenzene-1,2,3-triol
- IUPAC
- 4-butylbenzene-1,2,3-triol
Names & synonyms
14503-28-7CHEMBL12761314-butylbenzene-1,2,3-triolNSC43566SCHEMBL2382145DTXSID20286046BDBM50483050NSC-43566
Database identifiers
- CAS
14503-28-7- PubChem CID
- 238945
- DTXSID
DTXSID20286046- ChEMBL
CHEMBL1276131- Nikkaji
- J802.023J
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 149
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…