(2,5-dinitrophenoxy)methanol

C7H6N2O6 — CID 59479964

IUPAC(2,5-dinitrophenoxy)methanol
SMILESO=[N+]([O-])c1ccc([N+](=O)[O-])c(OCO)c1
InChIInChI=1S/C7H6N2O6/c10-4-15-7-3-5(8(11)12)1-2-6(7)9(13)14/h1-3,10H,4H2
InChIKeyHBZMWAAKIFWKFY-UHFFFAOYSA-N
MW214.13 g/mol
LogP0.83
Rot. Bonds4

About (2,5-dinitrophenoxy)methanol

(2,5-dinitrophenoxy)methanol (PubChem CID 59479964) has the molecular formula C7H6N2O6 and a molecular weight of 214.13 g/mol. Its IUPAC name is (2,5-dinitrophenoxy)methanol.

Molecular Properties

Compound Name(2,5-dinitrophenoxy)methanol
PubChem CID59479964
Molecular FormulaC7H6N2O6
Molecular Weight214.13 g/mol
Exact Mass214.02
IUPAC Name(2,5-dinitrophenoxy)methanol
SMILESO=[N+]([O-])c1ccc([N+](=O)[O-])c(OCO)c1
InChIInChI=1S/C7H6N2O6/c10-4-15-7-3-5(8(11)12)1-2-6(7)9(13)14/h1-3,10H,4H2
InChIKeyHBZMWAAKIFWKFY-UHFFFAOYSA-N
XLogP0.83
TPSA115.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.13
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dinitrophenoxy)-1,4-dinitrobenzene
CID 139890648
2-[2-(2-hydroxyethoxy)-4-nitrophenoxy]ethanol
CID 593462
4-fluoro-2-[3-(5-fluoro-2-nitrophenoxy)propoxy]-1-nitrobenzene
CID 7533666
N-[2-(2,5-dinitrophenoxy)ethyl]-N-ethylaniline
CID 11131353
4-[5-(aminomethyl)-2-nitrophenoxy]butan-1-ol
CID 62116714
2-(2,4-dinitrophenoxy)acetyl chloride
CID 15133534
2-(2,5-dinitrophenoxy)ethyl 4-methylthiadiazole-5-carboxylate
CID 134112914
[3-[(3,5-difluorophenyl)methoxy]-4-nitrophenyl]methanol
CID 105404143
N-(2-cyano-4-nitrophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 7846258
2-(2,5-dinitrophenyl)propan-1-ol
CID 22708683
[1-(2,4-dinitrophenoxy)-3-hydroxypropan-2-yl] dihydrogen phosphate
CID 88813506
2-(2-fluoroethoxy)-1-nitro-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene
CID 130408456

Frequently Asked Questions

What is the IUPAC name of (2,5-dinitrophenoxy)methanol?
The IUPAC name of (2,5-dinitrophenoxy)methanol (CID 59479964) is (2,5-dinitrophenoxy)methanol.
What is the SMILES notation for (2,5-dinitrophenoxy)methanol?
The canonical SMILES for (2,5-dinitrophenoxy)methanol is O=[N+]([O-])c1ccc([N+](=O)[O-])c(OCO)c1.
What is the InChIKey of (2,5-dinitrophenoxy)methanol?
The InChIKey is HBZMWAAKIFWKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O6/c10-4-15-7-3-5(8(11)12)1-2-6(7)9(13)14/h1-3,10H,4H2.
What are the key properties of (2,5-dinitrophenoxy)methanol?
(2,5-dinitrophenoxy)methanol has a molecular weight of 214.13 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dinitrophenoxy)methanol is sourced from PubChem (CID 59479964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).