3-Methylene-1-phenyl-1,4-butanediol
Basic information
- CAS
5538-00-1- Standard SMILES
C=C(CO)CC(O)c1ccccc1- InChIKey
QRCPASPJZSIBLY-UHFFFAOYSA-N- Molecular formula
- C11H14O2
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.09937969
Names & identifiers
- Preferred name
- 3-Methylene-1-phenyl-1,4-butanediol
- IUPAC
- 3-methylidene-1-phenylbutane-1,4-diol
Names & synonyms
3-Methylene-1-phenyl-1,4-butanediol5538-00-1RefChem:2811013-methylidene-1-phenylbutane-1,4-diolNSC619982CHEMBL1998900DTXSID401293812NSC-619982NCI60_005898
Database identifiers
- CAS
5538-00-1- PubChem CID
- 359266
- DTXSID
DTXSID401293812- ChEMBL
CHEMBL1998900- Nikkaji
- J2.199.980F
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 159
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…