Basic information
- CAS
17660-00-3- Standard SMILES
CC[C@@H](c1ccc2cc(O)ccc2c1)C(C)(C)C(=O)O- InChIKey
OKLBSPJQRWHBMY-HNNXBMFYSA-N- Molecular formula
- C17H20O3
- Average molar mass
- 272.34 g/mol
- Monoisotopic mass
- 272.1412445
Overview
(-)-Methallenestrilphenol is a member of naphthols.
Names & identifiers
- Preferred name
- (-)-3-(6-Hydroxy-2-naphthyl)-2,2-dimethylpentanoic acid
- IUPAC
- (3S)-3-(6-hydroxynaphthalen-2-yl)-2,2-dimethylpentanoic acid
Names & synonyms
Methallenestrilphenol, (-)-(-)-Methallenestrilphenol17660-00-3UNII-KW825I86KBKW825I86KB(3S)-3-(6-hydroxynaphthalen-2-yl)-2,2-dimethylpentanoic acid(-)-Methallenestril phenolNSC 85447(-)-3-(6-Hydroxy-2-naphthyl)-2,2-dimethylpentanoic acidNSC-85447NCIStruc1_000476NCIStruc2_000519
Show more names
CHEMBL1356055DTXSID1022506CHEBI:79671(3S)-3-(6-hydroxy-2-naphthyl)-2,2-dimethylpentanoic acidNCI78296CCG-36705NCGC00013842(-)-beta-Ethyl-6-hydroxy-alpha,alpha-dimethyl-2-naphthalenepropanoic acid
Database identifiers
- CAS
17660-00-3- PubChem CID
- 5771582
- DTXSID
DTXSID1022506- ChEMBL
CHEMBL1356055- ChEBI
CHEBI:79671- UNII
- KW825I86KB
- Nikkaji
- J923.592B
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 350
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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