Basic information
- CAS
51028-87-6- Standard SMILES
COc1cc(CC(=O)O)cc(C2CCCCC2)c1- InChIKey
AHDHGUHGYWNZNG-UHFFFAOYSA-N- Molecular formula
- C15H20O3
- Average molar mass
- 248.32 g/mol
- Monoisotopic mass
- 248.1412445
Names & identifiers
- Preferred name
- Acetic acid, 3-cyclohexyl-5-methoxyphenyl-
- IUPAC
- 2-(3-cyclohexyl-5-methoxyphenyl)acetic acid
- English name
- 3-Cyclohexyl-5-methoxyphenylacetic acid
- Molecular formula
- C15H20O3
- Molecular weight
- 248.32
Names & synonyms
3-Cyclohexyl-5-methoxyphenylacetic acidBRN 2133434ACETIC ACID, 3-CYCLOHEXYL-5-METHOXYPHENYL-51028-87-6DTXSID30199032RefChem:316529DTXCID60121523CHEMBL136902(3-Cyclohexyl-5-methoxyphenyl)acetic acidBenzeneacetic acid, 3-cyclohexyl-5-methoxy-
Database identifiers
- CAS
51028-87-6- PubChem CID
- 39874
- DTXSID
DTXSID30199032- ChEMBL
CHEMBL136902- Nikkaji
- J85.238D
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- Boiling point
- 407 · 407.0±33.0 °C(Predicted)
- Density
- 1.118 · 1.118±0.06 g/cm3(Predicted)
- pka
- 4.19 · 4.19±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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