3-[4-(3-Hydroxypropoxy)phenoxy]propan-1-ol
Basic information
- CAS
15497-91-3- Standard SMILES
OCCCOc1ccc(OCCCO)cc1- InChIKey
JGFQBESXBJCPKQ-UHFFFAOYSA-N- Molecular formula
- C12H18O4
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.12050905
Names & identifiers
- Preferred name
- 3-[4-(3-Hydroxypropoxy)phenoxy]propan-1-ol
- IUPAC
- 3-[4-(3-hydroxypropoxy)phenoxy]propan-1-ol
Names & synonyms
15497-91-33-[4-(3-hydroxypropoxy)phenoxy]propan-1-olNSC366060SCHEMBL555384DTXSID80320879NSC-3660603,3'-[1,4-Phenylenebis(oxy)]di(propan-1-ol)
Database identifiers
- CAS
15497-91-3- PubChem CID
- 339399
- DTXSID
DTXSID80320879- Nikkaji
- J647.478K
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 137
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Compound notes
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