Basic information
- CAS
94-77-9- Standard SMILES
Oc1ccc(CCc2ccccc2)c(O)c1- InChIKey
ANTLBIMVNRRJNP-UHFFFAOYSA-N- Molecular formula
- C14H14O2
- Average molar mass
- 214.26 g/mol
- Monoisotopic mass
- 214.09937969
Names & identifiers
- Preferred name
- 4-(2-Phenylethyl)resorcinol
- IUPAC
- 4-(2-phenylethyl)benzene-1,3-diol
- English name
- 4-Phenethylresorcinol
- Molecular formula
- C14H14O2
- Molecular weight
- 214.26
Names & synonyms
4-(2-Phenylethyl)resorcinol4-(2-phenylethyl)benzene-1,3-diol94-77-94-phenethylbenzene-1,3-diol4-(1-phenethyl)resorcinolSCHEMBL70564CHEMBL2206925SCHEMBL27757960SCHEMBL29492432BDBM111099DTXSID3010344374-(2-Phenylethyl)-1,3-benzenediol
Show more names
4-Phenethylresorcinol2,4-Dihydroxybibenzyl4-phenylethylresorcinol1,3-Benzenediol, 4-(2-phenylethyl)-
US9682910, 4-Phenethylbenzene-1,3-diol (12)
Database identifiers
- CAS
94-77-9- PubChem CID
- 15664656
- DTXSID
DTXSID301034437- ChEMBL
CHEMBL2206925- Nikkaji
- J801.965G
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- Melting point
- 133 · 133-134℃ (ethanol )
- Boiling point
- 367.7 · 367.7±17.0 °C(Predicted)
- Density
- 1.191 · 1.191±0.06 g/cm3 (20 ºC 760 Torr)
- pka
- 9.95 · 9.95±0.18(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
常熟市海天医药原料有限公司13913622609 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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