trans-(4-Hydroxymethyl-cyclohexylmethyl)-methyl-carbamic acid 4-chloro-phenyl ester
Basic information
- Standard SMILES
CN(CC1CCC(CO)CC1)C(=O)Oc1ccc(Cl)cc1- InChIKey
YDPNYOACYRUFMV-UHFFFAOYSA-N- Molecular formula
- C16H22ClNO3
- Average molar mass
- 311.8 g/mol
- Monoisotopic mass
- 311.1288213
Names & identifiers
- Preferred name
- trans-(4-Hydroxymethyl-cyclohexylmethyl)-methyl-carbamic acid 4-chloro-phenyl ester
- IUPAC
- (4-chlorophenyl) N-[[4-(hydroxymethyl)cyclohexyl]methyl]-N-methylcarbamate
Names & synonyms
SCHEMBL6019909SCHEMBL6019917YDPNYOACYRUFMV-JOCQHMNTSA-Ntrans-(4-hydroxymethyl-cyclohexylmethyl)-methyl-carbamic acid 4-chloro-phenyl ester
Database identifiers
- PubChem CID
- 69638705
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 323
Related reactions
2 records
Compound notes
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