Basic information
- Standard SMILES
CC1(C)CCC(C)(C)c2cc(C(=O)O)c(O)cc21- InChIKey
BPWJFRMNQQXQHD-UHFFFAOYSA-N- Molecular formula
- C15H20O3
- Average molar mass
- 248.32 g/mol
- Monoisotopic mass
- 248.1412445
Names & identifiers
- Preferred name
- 3-Hydroxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
- IUPAC
- 3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylic acid
Names & synonyms
191469-54-23-Hydroxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acidCHEMBL540743SCHEMBL7149480SCHEMBL30701833BPWJFRMNQQXQHD-UHFFFAOYSA-N7-hydroxy-1,1,4,4-tetramethyl-tetralin-6-carboxylic acid5,6,7,8-tetrahydro-5,5,8,8-tetra- methyl-2-hydroxynaphthalene-3-carboxylic acid5,6,7,8-tetrahydro-5,5,8,8-tetra-methyl-2-hydroxynaphthalene-3-carboxylic acid5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-hydroxynaphthalene-3-carboxylic acid
Database identifiers
- PubChem CID
- 10682016
- ChEMBL
CHEMBL540743
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 346
Related reactions
18 records
Compound notes
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