4-(2-amino-4-nitroanilino)phenol

C12H11N3O3 — CID 3400678

IUPAC4-(2-amino-4-nitroanilino)phenol
SMILESNc1cc([N+](=O)[O-])ccc1Nc1ccc(O)cc1
InChIInChI=1S/C12H11N3O3/c13-11-7-9(15(17)18)3-6-12(11)14-8-1-4-10(16)5-2-8/h1-7,14,16H,13H2
InChIKeyGHAWCFLBCAMCRI-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.63
Rot. Bonds3

About 4-(2-amino-4-nitroanilino)phenol

4-(2-amino-4-nitroanilino)phenol (PubChem CID 3400678) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 4-(2-amino-4-nitroanilino)phenol.

Molecular Properties

Compound Name4-(2-amino-4-nitroanilino)phenol
PubChem CID3400678
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name4-(2-amino-4-nitroanilino)phenol
SMILESNc1cc([N+](=O)[O-])ccc1Nc1ccc(O)cc1
InChIInChI=1S/C12H11N3O3/c13-11-7-9(15(17)18)3-6-12(11)14-8-1-4-10(16)5-2-8/h1-7,14,16H,13H2
InChIKeyGHAWCFLBCAMCRI-UHFFFAOYSA-N
XLogP2.63
TPSA101.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', '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

HC Orange No. 1
CID 3846708
4-(2,4-Dinitroanilino)phenol
CID 3858081
2,4-Dinitro-4'-methoxydiphenylamine
CID 260958
2-(2,4-Dinitroanilino)phenol
CID 3100915
4-(2,4-Dinitrophenylazo)phenol
CID 81192
4-[2,6-Dinitro-4-(trifluoromethyl)anilino]phenol
CID 46229619
N-(4-Methoxyphenyl)picrylamine
CID 4257825
4-[5-(4-Hydroxyanilino)-2,4-dinitroanilino]phenol
CID 155519203
2-[(2,4,6-Trinitrophenyl)amino]phenol
CID 3704939
3-(2,4-Dinitroanilino)phenol
CID 2827246
N1-(4-fluoro-3-nitrophenyl)-N2-(4-hydroxyphenyl)oxalamide
CID 18588689
Smssf-0625483
CID 21178335

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-nitroanilino)phenol?
The IUPAC name of 4-(2-amino-4-nitroanilino)phenol (CID 3400678) is 4-(2-amino-4-nitroanilino)phenol.
What is the SMILES notation for 4-(2-amino-4-nitroanilino)phenol?
The canonical SMILES for 4-(2-amino-4-nitroanilino)phenol is Nc1cc([N+](=O)[O-])ccc1Nc1ccc(O)cc1.
What is the InChIKey of 4-(2-amino-4-nitroanilino)phenol?
The InChIKey is GHAWCFLBCAMCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c13-11-7-9(15(17)18)3-6-12(11)14-8-1-4-10(16)5-2-8/h1-7,14,16H,13H2.
What are the key properties of 4-(2-amino-4-nitroanilino)phenol?
4-(2-amino-4-nitroanilino)phenol has a molecular weight of 245.24 g/mol, XLogP of 2.63, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-nitroanilino)phenol is sourced from PubChem (CID 3400678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).