2,4-diaminophenol;dihydrochloride

C6H10Cl2N2O — CID 8715

IUPAC2,4-diaminophenol;dihydrochloride
SMILESCl.Cl.Nc1ccc(O)c(N)c1
InChIInChI=1S/C6H8N2O.2ClH/c7-4-1-2-6(9)5(8)3-4;;/h1-3,9H,7-8H2;2*1H
InChIKeyKQEIJFWAXDQUPR-UHFFFAOYSA-N
MW197.07 g/mol
LogP1.40
Rot. Bonds

About 2,4-diaminophenol;dihydrochloride

2,4-diaminophenol;dihydrochloride (PubChem CID 8715) has the molecular formula C6H10Cl2N2O and a molecular weight of 197.07 g/mol. Its IUPAC name is 2,4-diaminophenol;dihydrochloride.

Molecular Properties

Compound Name2,4-diaminophenol;dihydrochloride
PubChem CID8715
Molecular FormulaC6H10Cl2N2O
Molecular Weight197.07 g/mol
Exact Mass196.02
IUPAC Name2,4-diaminophenol;dihydrochloride
SMILESCl.Cl.Nc1ccc(O)c(N)c1
InChIInChI=1S/C6H8N2O.2ClH/c7-4-1-2-6(9)5(8)3-4;;/h1-3,9H,7-8H2;2*1H
InChIKeyKQEIJFWAXDQUPR-UHFFFAOYSA-N
XLogP1.40
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.07
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-diaminophenol;dihydrochloride?
The IUPAC name of 2,4-diaminophenol;dihydrochloride (CID 8715) is 2,4-diaminophenol;dihydrochloride.
What is the SMILES notation for 2,4-diaminophenol;dihydrochloride?
The canonical SMILES for 2,4-diaminophenol;dihydrochloride is Cl.Cl.Nc1ccc(O)c(N)c1.
What is the InChIKey of 2,4-diaminophenol;dihydrochloride?
The InChIKey is KQEIJFWAXDQUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O.2ClH/c7-4-1-2-6(9)5(8)3-4;;/h1-3,9H,7-8H2;2*1H.
What are the key properties of 2,4-diaminophenol;dihydrochloride?
2,4-diaminophenol;dihydrochloride has a molecular weight of 197.07 g/mol, XLogP of 1.40, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diaminophenol;dihydrochloride is sourced from PubChem (CID 8715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).