2-(2,4-dinitro-6-phenylanilino)ethanol

C14H13N3O5 — CID 156539237

IUPAC2-(2,4-dinitro-6-phenylanilino)ethanol
SMILESO=[N+]([O-])c1cc(-c2ccccc2)c(NCCO)c([N+](=O)[O-])c1
InChIInChI=1S/C14H13N3O5/c18-7-6-15-14-12(10-4-2-1-3-5-10)8-11(16(19)20)9-13(14)17(21)22/h1-5,8-9,15,18H,6-7H2
InChIKeyOGCBCCCFJPVAOX-UHFFFAOYSA-N
MW303.27 g/mol
LogP2.57
Rot. Bonds6

About 2-(2,4-dinitro-6-phenylanilino)ethanol

2-(2,4-dinitro-6-phenylanilino)ethanol (PubChem CID 156539237) has the molecular formula C14H13N3O5 and a molecular weight of 303.27 g/mol. Its IUPAC name is 2-(2,4-dinitro-6-phenylanilino)ethanol.

Molecular Properties

Compound Name2-(2,4-dinitro-6-phenylanilino)ethanol
PubChem CID156539237
Molecular FormulaC14H13N3O5
Molecular Weight303.27 g/mol
Exact Mass303.09
IUPAC Name2-(2,4-dinitro-6-phenylanilino)ethanol
SMILESO=[N+]([O-])c1cc(-c2ccccc2)c(NCCO)c([N+](=O)[O-])c1
InChIInChI=1S/C14H13N3O5/c18-7-6-15-14-12(10-4-2-1-3-5-10)8-11(16(19)20)9-13(14)17(21)22/h1-5,8-9,15,18H,6-7H2
InChIKeyOGCBCCCFJPVAOX-UHFFFAOYSA-N
XLogP2.57
TPSA118.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-hydroxypropylamino)-3,5-dinitrobenzoic acid
CID 2834890
2,4,6-trinitro-N-(3,3,3-trinitropropyl)aniline
CID 71366056
2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline
CID 8576
N-ethylaniline;2,4,6-trinitrophenol
CID 121004377
N-(2,4,6-trinitroanilino)hydroxylamine
CID 174855795
4-tert-butyl-N-(2-nitrophenyl)-2,6-diphenylaniline
CID 164786582
2-(5-carboxypentylamino)-3,5-dinitrobenzoic acid
CID 3111363
methyl (9E)-2,5,7-trinitro-9-(5-phenyldithiol-3-ylidene)fluorene-4-carboxylate
CID 6050404
5-(2-hydroxyethylamino)-2-nitrobenzoic acid
CID 60649633
1-(2-hydroxy-5-nitro-3-phenylphenyl)ethanone
CID 11747254
(4-nitro-2-phenylphenyl)boronic acid
CID 150240507
2-[3-(ethylamino)-5-nitroanilino]ethanol
CID 80766231

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dinitro-6-phenylanilino)ethanol?
The IUPAC name of 2-(2,4-dinitro-6-phenylanilino)ethanol (CID 156539237) is 2-(2,4-dinitro-6-phenylanilino)ethanol.
What is the SMILES notation for 2-(2,4-dinitro-6-phenylanilino)ethanol?
The canonical SMILES for 2-(2,4-dinitro-6-phenylanilino)ethanol is O=[N+]([O-])c1cc(-c2ccccc2)c(NCCO)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(2,4-dinitro-6-phenylanilino)ethanol?
The InChIKey is OGCBCCCFJPVAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O5/c18-7-6-15-14-12(10-4-2-1-3-5-10)8-11(16(19)20)9-13(14)17(21)22/h1-5,8-9,15,18H,6-7H2.
What are the key properties of 2-(2,4-dinitro-6-phenylanilino)ethanol?
2-(2,4-dinitro-6-phenylanilino)ethanol has a molecular weight of 303.27 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dinitro-6-phenylanilino)ethanol is sourced from PubChem (CID 156539237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).