Basic information
- CAS
15372-37-9- Standard SMILES
CCC(c1ccc2cc(O)ccc2c1)C(C)(C)C(=O)O- InChIKey
OKLBSPJQRWHBMY-UHFFFAOYSA-N- Molecular formula
- C17H20O3
- Average molar mass
- 272.34 g/mol
- Monoisotopic mass
- 272.1412445
Overview
N-3-(6-Hydroxy-2-naphthyl)-2,2-dimethylpentanoic acid is a member of naphthols.
Names & identifiers
- Preferred name
- Methallenestrilphenol
- IUPAC
- 3-(6-hydroxynaphthalen-2-yl)-2,2-dimethylpentanoic acid
Names & synonyms
Methallenestrilphenol(+-)-MethallenestrilphenolN-3-(6-Hydroxy-2-naphthyl)-2,2-dimethylpentanoic acidUNII-6J0J47Q1NXalpha,alpha-Dimethyl-beta-ethylallenolic acid6J0J47Q1NXNSC 78296NSC-782962-Naphthalenepropanoic acid, beta-ethyl-6-hydroxy-alpha,alpha-dimethyl-beta-Ethyl-6-hydroxy-alpha,alpha-dimethyl-2-naphthalenepropanoic acid.ALPHA.,.ALPHA.-DIMETHYL-.BETA.-ETHYLALLENOLIC ACIDRefChem:156849
Show more names
2-NAPHTHALENEPROPANOIC ACID, BETA-ETHYL-6-HYDROXY-ALPHA,ALPHA-DIMETHYL-, (+-)-2-NAPHTHALENEPROPANOIC ACID, .BETA.-ETHYL-6-HYDROXY-.ALPHA.,.ALPHA.-DIMETHYL-, (+-)-15372-37-93-(6-hydroxynaphthalen-2-yl)-2,2-dimethylpentanoic acidNSC78296(+/-)-Methallenestrilphenol65118-81-2NSC-85447
Database identifiers
- CAS
15372-37-9、17660-00-3、20664-58-8、65118-81-2- PubChem CID
- 254232
- DTXSID
DTXSID40860807- ChEMBL
CHEMBL1978410- ChEBI
CHEBI:34865- UNII
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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