1-Methylcyclohexyl 2-(p-nitrophenyl)propionate

HCID 54068492
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C(=O)OC1(C)CCCCC1)c1ccc([N+](=O)[O-])cc1
InChIKey
MESWSJVNVRXSAB-UHFFFAOYSA-N
Molecular formula
C16H21NO4
Average molar mass
291.34 g/mol

Names & identifiers

Preferred name
1-Methylcyclohexyl 2-(p-nitrophenyl)propionate
IUPAC
(1-methylcyclohexyl) 2-(4-nitrophenyl)propanoate

Names & synonyms

SCHEMBL10608194MESWSJVNVRXSAB-UHFFFAOYSA-N1-methylcyclohexyl 2-(p-nitrophenyl)propionate1-methylcyclohexyl 2-(p-nitrophenyl)-propionate1-methyl-cyclohexyl 2-(p-nitrophenyl)-propionate

Database identifiers

PubChem CID
54068492

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
72.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
21

Related reactions

4 records
New reaction record

Linked notes

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