Basic information
- CAS
17422-91-2- Standard SMILES
OCCCc1ccc(O)cc1O- InChIKey
VUCICABZBJVJDA-UHFFFAOYSA-N- Molecular formula
- C9H12O3
- Average molar mass
- 168.19 g/mol
- Monoisotopic mass
- 168.07864424
Names & identifiers
- Preferred name
- 4-(3-Hydroxypropyl)benzene-1,3-diol
- IUPAC
- 4-(3-hydroxypropyl)benzene-1,3-diol
Names & synonyms
4-(3-hydroxypropyl)benzene-1,3-diol17422-91-2DTXSID20514013RefChem:287658DTXCID00464820SCHEMBL532243VUCICABZBJVJDA-UHFFFAOYSA-N4-3-hydroxypropyl benzene-1,3-diolAKOS0063109894-(3-Hydroxy-propyl)-benzene-1,3-diolDB-228839EN300-1828031
Database identifiers
- CAS
17422-91-2- PubChem CID
- 12958403
- DTXSID
DTXSID20514013
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 127
Related reactions
5 records
Compound notes
Loading…