1-p-Ethylphenyl-2-nitro-1-hexanol

HCID 21443565
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Basic information

Standard SMILES
CCCCC(C(O)c1ccc(CC)cc1)[N+](=O)[O-]
InChIKey
VSAJGGZUONUBQQ-UHFFFAOYSA-N
Molecular formula
C14H21NO3
Average molar mass
251.32 g/mol
Monoisotopic mass
251.15214353

Names & identifiers

Preferred name
1-p-Ethylphenyl-2-nitro-1-hexanol
IUPAC
1-(4-ethylphenyl)-2-nitrohexan-1-ol

Names & synonyms

SCHEMBL11687144VSAJGGZUONUBQQ-UHFFFAOYSA-N1-p-ethylphenyl-2-nitro-1-hexanol

Database identifiers

PubChem CID
21443565

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
66.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
18

Related reactions

2 records
New reaction record

Compound notes

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