Meso-Butestrol
Basic information
- CAS
2962-14-3- Standard SMILES
C[C@H](c1ccc(O)cc1)[C@@H](C)c1ccc(O)cc1- InChIKey
GDUYFVYTXYOMSJ-TXEJJXNPSA-N- Molecular formula
- C16H18O2
- Average molar mass
- 242.31 g/mol
- Monoisotopic mass
- 242.13067981
Names & identifiers
- Preferred name
- Meso-Butestrol
- IUPAC
- 4-[(2S,3R)-3-(4-hydroxyphenyl)butan-2-yl]phenol
Names & synonyms
meso-Butestrolmeso-ButoestrolPQ4GVS4T9SBRN 3206294meso-4,4'-(1,2-Dimethylethylene)diphenol2962-14-3meso-alpha,alpha'-Dimethyl-4,4'-dihydroxybibenzylPhenol, 4,4'-(1,2-dimethylethylene)di-, meso-DTXSID00183802Phenol, 4,4'-(1,2-dimethyl-1,2-ethanediyl)bis-, (R-(R*,S*))-4-06-00-06734 (Beilstein Handbook Reference)SC-3402
Show more names
2,3-BIS(4-HYDROXYPHENYL)BUTANEPHENOL, 4,4'-(1,2-DIMETHYL-1,2-ETHANEDIYL)BIS-, (R*,S*)-RefChem:156671DTXCID00106293Phenol, 4,4'-(1,2-dimethyl-1,2-ethanediyl)bis-, (R-(R*,S*))-(9CI)UNII-PQ4GVS4T9SCHEMBL326340SCHEMBL30753092
Database identifiers
- CAS
2962-14-3- PubChem CID
- 200945
- DTXSID
DTXSID00183802- ChEMBL
CHEMBL326340- UNII
- PQ4GVS4T9S
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 211
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Related reactions
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Compound notes
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