[2-nitro-5-(4-nitrophenoxy)phenyl]methanol

C13H10N2O6 — CID 106546897

IUPAC[2-nitro-5-(4-nitrophenoxy)phenyl]methanol
SMILESO=[N+]([O-])c1ccc(Oc2ccc([N+](=O)[O-])c(CO)c2)cc1
InChIInChI=1S/C13H10N2O6/c16-8-9-7-12(5-6-13(9)15(19)20)21-11-3-1-10(2-4-11)14(17)18/h1-7,16H,8H2
InChIKeyDGKUJVFZRDQBFW-UHFFFAOYSA-N
MW290.23 g/mol
LogP2.79
Rot. Bonds5

About [2-nitro-5-(4-nitrophenoxy)phenyl]methanol

[2-nitro-5-(4-nitrophenoxy)phenyl]methanol (PubChem CID 106546897) has the molecular formula C13H10N2O6 and a molecular weight of 290.23 g/mol. Its IUPAC name is [2-nitro-5-(4-nitrophenoxy)phenyl]methanol.

Molecular Properties

Compound Name[2-nitro-5-(4-nitrophenoxy)phenyl]methanol
PubChem CID106546897
Molecular FormulaC13H10N2O6
Molecular Weight290.23 g/mol
Exact Mass290.05
IUPAC Name[2-nitro-5-(4-nitrophenoxy)phenyl]methanol
SMILESO=[N+]([O-])c1ccc(Oc2ccc([N+](=O)[O-])c(CO)c2)cc1
InChIInChI=1S/C13H10N2O6/c16-8-9-7-12(5-6-13(9)15(19)20)21-11-3-1-10(2-4-11)14(17)18/h1-7,16H,8H2
InChIKeyDGKUJVFZRDQBFW-UHFFFAOYSA-N
XLogP2.79
TPSA115.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 52.79
H-Bond Donors ≤ 51
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-nitro-5-phenoxyphenyl)methanamine
CID 141138055
[5-bromo-2-(4-nitrophenoxy)phenyl]methanol
CID 103600418
[5-[3-(4-methylphenoxy)propoxy]-2-nitrophenyl]methanol
CID 135019688
[3-fluoro-5-(4-nitrophenoxy)phenyl]methanol
CID 106530170
methane;5-methoxy-2-nitrobenzaldehyde;(5-methoxy-2-nitrophenyl)methanol
CID 160701549
1-(4-nitrophenoxy)-4-[2-[4-(4-nitrophenoxy)phenyl]ethyl]benzene
CID 139816663
5-[4-(3-cyano-4-nitrophenoxy)phenoxy]-2-nitrobenzonitrile
CID 57110748
4-nitro-3-[(4-nitrophenoxy)methyl]aniline
CID 101418307
[5-(hydroxymethyl)-2,4-dinitrophenyl]methanol
CID 3316930
[4-[4-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone
CID 14344371
[5-(4-amino-2-methylpentan-2-yl)oxy-2-nitrophenyl]methanol
CID 146342782
3-[4-(4-nitrophenoxy)phenyl]prop-2-yn-1-ol
CID 23345648

Frequently Asked Questions

What is the IUPAC name of [2-nitro-5-(4-nitrophenoxy)phenyl]methanol?
The IUPAC name of [2-nitro-5-(4-nitrophenoxy)phenyl]methanol (CID 106546897) is [2-nitro-5-(4-nitrophenoxy)phenyl]methanol.
What is the SMILES notation for [2-nitro-5-(4-nitrophenoxy)phenyl]methanol?
The canonical SMILES for [2-nitro-5-(4-nitrophenoxy)phenyl]methanol is O=[N+]([O-])c1ccc(Oc2ccc([N+](=O)[O-])c(CO)c2)cc1.
What is the InChIKey of [2-nitro-5-(4-nitrophenoxy)phenyl]methanol?
The InChIKey is DGKUJVFZRDQBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O6/c16-8-9-7-12(5-6-13(9)15(19)20)21-11-3-1-10(2-4-11)14(17)18/h1-7,16H,8H2.
What are the key properties of [2-nitro-5-(4-nitrophenoxy)phenyl]methanol?
[2-nitro-5-(4-nitrophenoxy)phenyl]methanol has a molecular weight of 290.23 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-nitro-5-(4-nitrophenoxy)phenyl]methanol is sourced from PubChem (CID 106546897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).