(2,4-dinitrophenyl)methanol

C7H6N2O5 — CID 20974

IUPAC(2,4-dinitrophenyl)methanol
SMILESO=[N+]([O-])c1ccc(CO)c([N+](=O)[O-])c1
InChIInChI=1S/C7H6N2O5/c10-4-5-1-2-6(8(11)12)3-7(5)9(13)14/h1-3,10H,4H2
InChIKeyZKKOBDGQUYKWFN-UHFFFAOYSA-N
MW198.13 g/mol
LogP1.00
Rot. Bonds3

About (2,4-dinitrophenyl)methanol

(2,4-dinitrophenyl)methanol (PubChem CID 20974) has the molecular formula C7H6N2O5 and a molecular weight of 198.13 g/mol. Its IUPAC name is (2,4-dinitrophenyl)methanol.

Molecular Properties

Compound Name(2,4-dinitrophenyl)methanol
PubChem CID20974
Molecular FormulaC7H6N2O5
Molecular Weight198.13 g/mol
Exact Mass198.03
IUPAC Name(2,4-dinitrophenyl)methanol
SMILESO=[N+]([O-])c1ccc(CO)c([N+](=O)[O-])c1
InChIInChI=1S/C7H6N2O5/c10-4-5-1-2-6(8(11)12)3-7(5)9(13)14/h1-3,10H,4H2
InChIKeyZKKOBDGQUYKWFN-UHFFFAOYSA-N
XLogP1.00
TPSA106.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.13
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of (2,4-dinitrophenyl)methanol?
The IUPAC name of (2,4-dinitrophenyl)methanol (CID 20974) is (2,4-dinitrophenyl)methanol.
What is the SMILES notation for (2,4-dinitrophenyl)methanol?
The canonical SMILES for (2,4-dinitrophenyl)methanol is O=[N+]([O-])c1ccc(CO)c([N+](=O)[O-])c1.
What is the InChIKey of (2,4-dinitrophenyl)methanol?
The InChIKey is ZKKOBDGQUYKWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O5/c10-4-5-1-2-6(8(11)12)3-7(5)9(13)14/h1-3,10H,4H2.
What are the key properties of (2,4-dinitrophenyl)methanol?
(2,4-dinitrophenyl)methanol has a molecular weight of 198.13 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dinitrophenyl)methanol is sourced from PubChem (CID 20974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).