4-Cyclopentylresorcinol monohydrate
Basic information
- CAS
797750-52-8- Standard SMILES
O.Oc1ccc(C2CCCC2)c(O)c1- InChIKey
WLWRASODMDBNFC-UHFFFAOYSA-N- Molecular formula
- C11H16O3
- Average molar mass
- 196.24 g/mol
- Monoisotopic mass
- 196.10994437
Names & identifiers
- Preferred name
- 4-Cyclopentylresorcinol monohydrate
- IUPAC
- 4-cyclopentylbenzene-1,3-diol;hydrate
Names & synonyms
4-Cyclopentylresorcinol monohydrate797750-52-8LT8339Z46A4-Cyclopentyl-1,3-benzenediol monohydrate4-Cyclopentylbenzene-1,3-diol monohydrateUNII-LT8339Z46ASCHEMBL4974800DTXSID00740136WLWRASODMDBNFC-UHFFFAOYSA-N4-cyclopentyl resorcinol monohydrate4-Cyclopentylbenzene-1,3-diol--water (1/1)
Database identifiers
- CAS
797750-52-8- PubChem CID
- 69264014
- DTXSID
DTXSID00740136- UNII
- LT8339Z46A
Properties
Computed structural properties
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 163
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Related reactions
1 records
Compound notes
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