Basic information
- Standard SMILES
COc1ccc(C(=O)O)cc1C12CC3CC(CC(C3)C1)C2- InChIKey
RWZRMETXJWTWQW-UHFFFAOYSA-N- Molecular formula
- C18H22O3
- Average molar mass
- 286.4 g/mol
Names & identifiers
- Preferred name
- 3-(1-Adamantyl)-4-methoxybenzoic acid
- IUPAC
- 3-(1-adamantyl)-4-methoxybenzoic acid
Names & synonyms
3-(1-adamantyl)-4-methoxybenzoic acid104224-62-63-(adamantan-1-yl)-4-methoxybenzoic acidMFCD060141284-Methoxy-3-tricyclo[3.3.1.13,7]dec-1-ylbenzoic acid3-adamantanyl-4-methoxybenzoic acidbenzoic acid, 4-methoxy-3-tricyclo[3.3.1.1~3,7~]dec-1-yl-4-methoxy-3-(tricyclo[3.3.1.1~3,7~]dec-1-yl)benzoic acidSCHEMBL565789SCHEMBL9493164ALBB-010389BBL003395
Show more names
SBB050346STK520653AKOS0017560863-(1-Admantyl)-4-methoxybenzoic acid3-adamantan-1-yl-4-methoxybenzoic acid3-(1-adamantyl)-4-methoxy benzoic acid3-(1-adamantyl)-4-methoxy-benzoic acidNCGC00327779-01
Database identifiers
- PubChem CID
- 5296503
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 389
Related reactions
23 records
Compound notes
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