2-(2-methoxy-4-nitroanilino)ethanol

C9H12N2O4 — CID 3017645

IUPAC2-(2-methoxy-4-nitroanilino)ethanol
SMILESCOc1cc([N+](=O)[O-])ccc1NCCO
InChIInChI=1S/C9H12N2O4/c1-15-9-6-7(11(13)14)2-3-8(9)10-4-5-12/h2-3,6,10,12H,4-5H2,1H3
InChIKeyDZFVBIGUJAYIFJ-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.01
Rot. Bonds5

About 2-(2-methoxy-4-nitroanilino)ethanol

2-(2-methoxy-4-nitroanilino)ethanol (PubChem CID 3017645) has the molecular formula C9H12N2O4 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-(2-methoxy-4-nitroanilino)ethanol.

Molecular Properties

Compound Name2-(2-methoxy-4-nitroanilino)ethanol
PubChem CID3017645
Molecular FormulaC9H12N2O4
Molecular Weight212.21 g/mol
Exact Mass212.08
IUPAC Name2-(2-methoxy-4-nitroanilino)ethanol
SMILESCOc1cc([N+](=O)[O-])ccc1NCCO
InChIInChI=1S/C9H12N2O4/c1-15-9-6-7(11(13)14)2-3-8(9)10-4-5-12/h2-3,6,10,12H,4-5H2,1H3
InChIKeyDZFVBIGUJAYIFJ-UHFFFAOYSA-N
XLogP1.01
TPSA84.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.01
H-Bond Donors ≤ 52
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-(2-methoxy-4-nitroanilino)ethanol?
The IUPAC name of 2-(2-methoxy-4-nitroanilino)ethanol (CID 3017645) is 2-(2-methoxy-4-nitroanilino)ethanol.
What is the SMILES notation for 2-(2-methoxy-4-nitroanilino)ethanol?
The canonical SMILES for 2-(2-methoxy-4-nitroanilino)ethanol is COc1cc([N+](=O)[O-])ccc1NCCO.
What is the InChIKey of 2-(2-methoxy-4-nitroanilino)ethanol?
The InChIKey is DZFVBIGUJAYIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-15-9-6-7(11(13)14)2-3-8(9)10-4-5-12/h2-3,6,10,12H,4-5H2,1H3.
What are the key properties of 2-(2-methoxy-4-nitroanilino)ethanol?
2-(2-methoxy-4-nitroanilino)ethanol has a molecular weight of 212.21 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-nitroanilino)ethanol is sourced from PubChem (CID 3017645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).