Lunularin
Basic information
- CAS
37116-80-6- Standard SMILES
Oc1ccc(CCc2cccc(O)c2)cc1- InChIKey
ILEYXPCRQKRNIJ-UHFFFAOYSA-N- Molecular formula
- C14H14O2
- Average molar mass
- 214.26 g/mol
- Monoisotopic mass
- 214.09937969
Overview
Lunularin is a stilbenoid.
Names & identifiers
- Preferred name
- Lunularin
- IUPAC
- 3-[2-(4-hydroxyphenyl)ethyl]phenol
- English name
- lunularin
- Molecular formula
- C14H14O2
- Molecular weight
- 214.26
Names & synonyms
Lunularin37116-80-63-[2-(4-hydroxyphenyl)ethyl]phenol3,4'-Dihydroxybibenzyl3,4'-EthylenebisphenolAXG9EP247CDTXSID201906143-(2-(4-HYDROXYPHENYL)ETHYL)PHENOLRefChem:154315DTXCID601131053-(4-Hydroxyphenethyl)phenolMFCD24713452
Show more names
Phenol, 3-[2-(4-hydroxyphenyl)ethyl]-4-[2-(3-hydroxyphenyl)ethyl]phenolLunularineUNII-AXG9EP247C1-(3-Hydroxyphenyl)-2-(4-hydroxyphenyl)ethaneSCHEMBL717118CHEBI:6568CHEMBL445252
Database identifiers
- CAS
37116-80-6- PubChem CID
- 181511
- DTXSID
DTXSID20190614- ChEMBL
CHEMBL445252- ChEBI
CHEBI:6568- UNII
- AXG9EP247C
- Nikkaji
- J418.990F
Properties
Computed structural properties
- XLogP
- 3.5
- 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
- 197
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Aromatic polyketides [PK13] -> Diphenyl ethers, biphenyls, dibenzyls and stilbenes [PK1309]
Physicochemical properties
- storage temp.
- Inert atmosphere,Room Temperature
- Appearance
- White to off-white Solid
- FDA UNII
- 9 EP247C · AXG9EP247C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Additional notes
DefinitionChEBI: Lunularin is a stilbenoid.
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Related reactions
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Compound notes
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