7-(2,2-Dimethyl-propyl)-1-hydroxy-3,4-dihydro-naphthalene-2-carboxylic acid methyl ester
Basic information
- Standard SMILES
COC(=O)C1=C(O)c2cc(CC(C)(C)C)ccc2CC1- InChIKey
AJBOSVYOHRGROC-UHFFFAOYSA-N- Molecular formula
- C17H22O3
- Average molar mass
- 274.35 g/mol
- Monoisotopic mass
- 274.15689456
Names & identifiers
- Preferred name
- 7-(2,2-Dimethyl-propyl)-1-hydroxy-3,4-dihydro-naphthalene-2-carboxylic acid methyl ester
- IUPAC
- methyl 7-(2,2-dimethylpropyl)-1-hydroxy-3,4-dihydronaphthalene-2-carboxylate
Names & synonyms
SCHEMBL3162786AJBOSVYOHRGROC-UHFFFAOYSA-N7-(2,2-Dimethyl-propyl)-1-hydroxy-3,4-dihydro-naphthalene-2-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 57718623
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 403
Related reactions
3 records
Compound notes
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