(3R,4S)-3,4-dihydrophenanthrene-3,4-diol
Basic information
- CAS
61616-82-8- Standard SMILES
O[C@@H]1C=Cc2ccc3ccccc3c2[C@@H]1O- InChIKey
FOTICWSJABVKPW-TZMCWYRMSA-N- Molecular formula
- C14H12O2
- Average molar mass
- 212.24 g/mol
- Monoisotopic mass
- 212.08372962
Overview
(3R,4S)-3,4-dihydrophenanthrene-3,4-diol is a cis-3,4-dihydrophenanthrene-3,4-diol. It is an enantiomer of a (3S,4R)-3,4-dihydrophenanthrene-3,4-diol.
Names & identifiers
- Preferred name
- (3R,4S)-3,4-dihydrophenanthrene-3,4-diol
- IUPAC
- (3R,4S)-3,4-dihydrophenanthrene-3,4-diol
Names & synonyms
(3R,4S)-3,4-dihydrophenanthrene-3,4-diolCHEBI:37465RefChem:93483461616-82-83,4-Phenanthrenediol, 3,4-dihydro-, cis-SCHEMBL637370Q27117150
Database identifiers
- CAS
61616-82-8- PubChem CID
- 188002
- ChEBI
CHEBI:37465- Nikkaji
- J1.855.108J
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 286
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Related reactions
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Compound notes
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