2-[3-methyl-4-[(4-nitrophenyl)diazenyl]anilino]ethanol

C15H16N4O3 — CID 3121607

IUPAC2-[3-methyl-4-[(4-nitrophenyl)diazenyl]anilino]ethanol
SMILESCc1cc(NCCO)ccc1/N=N/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H16N4O3/c1-11-10-13(16-8-9-20)4-7-15(11)18-17-12-2-5-14(6-3-12)19(21)22/h2-7,10,16,20H,8-9H2,1H3/b18-17+
InChIKeyYOUNKHUSQXZFNZ-ISLYRVAYSA-N
MW300.32 g/mol
LogP3.72
Rot. Bonds6

About 2-[3-methyl-4-[(4-nitrophenyl)diazenyl]anilino]ethanol

2-[3-methyl-4-[(4-nitrophenyl)diazenyl]anilino]ethanol (PubChem CID 3121607) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-[3-methyl-4-[(4-nitrophenyl)diazenyl]anilino]ethanol.

Molecular Properties

Compound Name2-[3-methyl-4-[(4-nitrophenyl)diazenyl]anilino]ethanol
PubChem CID3121607
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name2-[3-methyl-4-[(4-nitrophenyl)diazenyl]anilino]ethanol
SMILESCc1cc(NCCO)ccc1/N=N/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H16N4O3/c1-11-10-13(16-8-9-20)4-7-15(11)18-17-12-2-5-14(6-3-12)19(21)22/h2-7,10,16,20H,8-9H2,1H3/b18-17+
InChIKeyYOUNKHUSQXZFNZ-ISLYRVAYSA-N
XLogP3.72
TPSA100.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'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-[3-methyl-4-[(4-nitrophenyl)diazenyl]anilino]ethanol?
The IUPAC name of 2-[3-methyl-4-[(4-nitrophenyl)diazenyl]anilino]ethanol (CID 3121607) is 2-[3-methyl-4-[(4-nitrophenyl)diazenyl]anilino]ethanol.
What is the SMILES notation for 2-[3-methyl-4-[(4-nitrophenyl)diazenyl]anilino]ethanol?
The canonical SMILES for 2-[3-methyl-4-[(4-nitrophenyl)diazenyl]anilino]ethanol is Cc1cc(NCCO)ccc1/N=N/c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[3-methyl-4-[(4-nitrophenyl)diazenyl]anilino]ethanol?
The InChIKey is YOUNKHUSQXZFNZ-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-11-10-13(16-8-9-20)4-7-15(11)18-17-12-2-5-14(6-3-12)19(21)22/h2-7,10,16,20H,8-9H2,1H3/b18-17+.
What are the key properties of 2-[3-methyl-4-[(4-nitrophenyl)diazenyl]anilino]ethanol?
2-[3-methyl-4-[(4-nitrophenyl)diazenyl]anilino]ethanol has a molecular weight of 300.32 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-4-[(4-nitrophenyl)diazenyl]anilino]ethanol is sourced from PubChem (CID 3121607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).