1-p-Ethoxyphenyl-1-p-ethylphenyl-2-nitro-n-hexane

HCID 21443561
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Basic information

Standard SMILES
CCCCC(C(c1ccc(CC)cc1)c1ccc(OCC)cc1)[N+](=O)[O-]
InChIKey
PNJLVWIFMPPCAQ-UHFFFAOYSA-N
Molecular formula
C22H29NO3
Average molar mass
355.5 g/mol
Monoisotopic mass
355.21474379

Names & identifiers

Preferred name
1-p-Ethoxyphenyl-1-p-ethylphenyl-2-nitro-n-hexane
IUPAC
1-[1-(4-ethoxyphenyl)-2-nitrohexyl]-4-ethylbenzene

Names & synonyms

SCHEMBL11684303PNJLVWIFMPPCAQ-UHFFFAOYSA-N1-p-ethoxyphenyl-1-p-ethylphenyl-2-nitro-n-hexane

Database identifiers

PubChem CID
21443561

Properties

Computed structural properties

XLogP
6.4
Topological polar surface area
55.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
9
Heavy atoms
26

Related reactions

2 records
New reaction record

Compound notes

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