1-amino-4-(4-aminophenyl)cyclohexa-2,5-diene-1,4-diol

C12H14N2O2 — CID 171779384

IUPAC1-amino-4-(4-aminophenyl)cyclohexa-2,5-diene-1,4-diol
SMILESNc1ccc(C2(O)C=CC(N)(O)C=C2)cc1
InChIInChI=1S/C12H14N2O2/c13-10-3-1-9(2-4-10)11(15)5-7-12(14,16)8-6-11/h1-8,15-16H,13-14H2
InChIKeyFFOUVTNQJWIFBZ-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.23
Rot. Bonds1

About 1-amino-4-(4-aminophenyl)cyclohexa-2,5-diene-1,4-diol

1-amino-4-(4-aminophenyl)cyclohexa-2,5-diene-1,4-diol (PubChem CID 171779384) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-amino-4-(4-aminophenyl)cyclohexa-2,5-diene-1,4-diol.

Molecular Properties

Compound Name1-amino-4-(4-aminophenyl)cyclohexa-2,5-diene-1,4-diol
PubChem CID171779384
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-amino-4-(4-aminophenyl)cyclohexa-2,5-diene-1,4-diol
SMILESNc1ccc(C2(O)C=CC(N)(O)C=C2)cc1
InChIInChI=1S/C12H14N2O2/c13-10-3-1-9(2-4-10)11(15)5-7-12(14,16)8-6-11/h1-8,15-16H,13-14H2
InChIKeyFFOUVTNQJWIFBZ-UHFFFAOYSA-N
XLogP0.23
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(4-aminophenyl)cyclohexa-2,5-diene-1,4-diol?
The IUPAC name of 1-amino-4-(4-aminophenyl)cyclohexa-2,5-diene-1,4-diol (CID 171779384) is 1-amino-4-(4-aminophenyl)cyclohexa-2,5-diene-1,4-diol.
What is the SMILES notation for 1-amino-4-(4-aminophenyl)cyclohexa-2,5-diene-1,4-diol?
The canonical SMILES for 1-amino-4-(4-aminophenyl)cyclohexa-2,5-diene-1,4-diol is Nc1ccc(C2(O)C=CC(N)(O)C=C2)cc1.
What is the InChIKey of 1-amino-4-(4-aminophenyl)cyclohexa-2,5-diene-1,4-diol?
The InChIKey is FFOUVTNQJWIFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c13-10-3-1-9(2-4-10)11(15)5-7-12(14,16)8-6-11/h1-8,15-16H,13-14H2.
What are the key properties of 1-amino-4-(4-aminophenyl)cyclohexa-2,5-diene-1,4-diol?
1-amino-4-(4-aminophenyl)cyclohexa-2,5-diene-1,4-diol has a molecular weight of 218.26 g/mol, XLogP of 0.23, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(4-aminophenyl)cyclohexa-2,5-diene-1,4-diol is sourced from PubChem (CID 171779384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).