4-[5-(4-hydroxyanilino)-2,4-dinitroanilino]phenol

C18H14N4O6 — CID 155519203

IUPAC4-[5-(4-hydroxyanilino)-2,4-dinitroanilino]phenol
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccc(O)cc2)cc1Nc1ccc(O)cc1
InChIInChI=1S/C18H14N4O6/c23-13-5-1-11(2-6-13)19-15-9-16(20-12-3-7-14(24)8-4-12)18(22(27)28)10-17(15)21(25)26/h1-10,19-20,23-24H
InChIKeyUANHTNRCUSWWAN-UHFFFAOYSA-N
MW382.33 g/mol
LogP4.40
Rot. Bonds6

About 4-[5-(4-hydroxyanilino)-2,4-dinitroanilino]phenol

4-[5-(4-hydroxyanilino)-2,4-dinitroanilino]phenol (PubChem CID 155519203) has the molecular formula C18H14N4O6 and a molecular weight of 382.33 g/mol. Its IUPAC name is 4-[5-(4-hydroxyanilino)-2,4-dinitroanilino]phenol.

Molecular Properties

Compound Name4-[5-(4-hydroxyanilino)-2,4-dinitroanilino]phenol
PubChem CID155519203
Molecular FormulaC18H14N4O6
Molecular Weight382.33 g/mol
Exact Mass382.09
IUPAC Name4-[5-(4-hydroxyanilino)-2,4-dinitroanilino]phenol
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccc(O)cc2)cc1Nc1ccc(O)cc1
InChIInChI=1S/C18H14N4O6/c23-13-5-1-11(2-6-13)19-15-9-16(20-12-3-7-14(24)8-4-12)18(22(27)28)10-17(15)21(25)26/h1-10,19-20,23-24H
InChIKeyUANHTNRCUSWWAN-UHFFFAOYSA-N
XLogP4.40
TPSA150.80 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.33
LogP ≤ 54.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'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-Amino-4-nitroanilino)phenol
CID 3400678
4-(2,4-Dinitrophenylazo)phenol
CID 81192
(1,1'-Biphenyl)-2-ol, 5-(2-(4-((2,4-dinitrophenyl)amino)phenyl)diazenyl)-
CID 135666422
N',N'-diethyl-N-(2-nitrophenyl)propane-1,3-diamine;2,4,6-trinitrophenol
CID 243794
4-[2,6-Dinitro-4-(trifluoromethyl)anilino]phenol
CID 46229619
N-(4-Methoxyphenyl)picrylamine
CID 4257825
2-[(2,4,6-Trinitrophenyl)amino]phenol
CID 3704939
3-(2,4-Dinitroanilino)phenol
CID 2827246

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-hydroxyanilino)-2,4-dinitroanilino]phenol?
The IUPAC name of 4-[5-(4-hydroxyanilino)-2,4-dinitroanilino]phenol (CID 155519203) is 4-[5-(4-hydroxyanilino)-2,4-dinitroanilino]phenol.
What is the SMILES notation for 4-[5-(4-hydroxyanilino)-2,4-dinitroanilino]phenol?
The canonical SMILES for 4-[5-(4-hydroxyanilino)-2,4-dinitroanilino]phenol is O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccc(O)cc2)cc1Nc1ccc(O)cc1.
What is the InChIKey of 4-[5-(4-hydroxyanilino)-2,4-dinitroanilino]phenol?
The InChIKey is UANHTNRCUSWWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O6/c23-13-5-1-11(2-6-13)19-15-9-16(20-12-3-7-14(24)8-4-12)18(22(27)28)10-17(15)21(25)26/h1-10,19-20,23-24H.
What are the key properties of 4-[5-(4-hydroxyanilino)-2,4-dinitroanilino]phenol?
4-[5-(4-hydroxyanilino)-2,4-dinitroanilino]phenol has a molecular weight of 382.33 g/mol, XLogP of 4.40, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-hydroxyanilino)-2,4-dinitroanilino]phenol is sourced from PubChem (CID 155519203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).