3,4-diaminophenol

C6H8N2O — CID 2772970

IUPAC3,4-diaminophenol
SMILESNc1ccc(O)cc1N
InChIInChI=1S/C6H8N2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H,7-8H2
InChIKeyOVOZYARDXPHRDL-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.56
Rot. Bonds

About 3,4-diaminophenol

3,4-diaminophenol (PubChem CID 2772970) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 3,4-diaminophenol.

Molecular Properties

Compound Name3,4-diaminophenol
PubChem CID2772970
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name3,4-diaminophenol
SMILESNc1ccc(O)cc1N
InChIInChI=1S/C6H8N2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H,7-8H2
InChIKeyOVOZYARDXPHRDL-UHFFFAOYSA-N
XLogP0.56
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Aminophenol
CID 11568
4-Aminophenol
CID 403
4-Aminophenol hydrochloride
CID 5828
3,4-Dinitrophenol
CID 11348
4-Amino-3-Nitrophenol
CID 3758882
p-ARSANILIC ACID, 2-HYDROXY-
CID 22773
3,4-Diamino-2-chlorophenol
CID 69277451
3-Aminophenol hydrochloride
CID 12231984
2,3-Diaminophenol
CID 579937
4-Amino-2-iodophenol
CID 13774763
4-Azidophenol
CID 11622340
4-Methoxy-o-phenylenediamine
CID 153404

Frequently Asked Questions

What is the IUPAC name of 3,4-diaminophenol?
The IUPAC name of 3,4-diaminophenol (CID 2772970) is 3,4-diaminophenol.
What is the SMILES notation for 3,4-diaminophenol?
The canonical SMILES for 3,4-diaminophenol is Nc1ccc(O)cc1N.
What is the InChIKey of 3,4-diaminophenol?
The InChIKey is OVOZYARDXPHRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H,7-8H2.
What are the key properties of 3,4-diaminophenol?
3,4-diaminophenol has a molecular weight of 124.14 g/mol, XLogP of 0.56, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diaminophenol is sourced from PubChem (CID 2772970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).