5-amino-2-methylphenol;4-aminophenol

C13H16N2O2 — CID 162229145

IUPAC5-amino-2-methylphenol;4-aminophenol
SMILESCc1ccc(N)cc1O.Nc1ccc(O)cc1
InChIInChI=1S/C7H9NO.C6H7NO/c1-5-2-3-6(8)4-7(5)9;7-5-1-3-6(8)4-2-5/h2-4,9H,8H2,1H3;1-4,8H,7H2
InChIKeyZVEHORWJLGRJNE-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.26
Rot. Bonds

About 5-amino-2-methylphenol;4-aminophenol

5-amino-2-methylphenol;4-aminophenol (PubChem CID 162229145) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 5-amino-2-methylphenol;4-aminophenol.

Molecular Properties

Compound Name5-amino-2-methylphenol;4-aminophenol
PubChem CID162229145
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name5-amino-2-methylphenol;4-aminophenol
SMILESCc1ccc(N)cc1O.Nc1ccc(O)cc1
InChIInChI=1S/C7H9NO.C6H7NO/c1-5-2-3-6(8)4-7(5)9;7-5-1-3-6(8)4-2-5/h2-4,9H,8H2,1H3;1-4,8H,7H2
InChIKeyZVEHORWJLGRJNE-UHFFFAOYSA-N
XLogP2.26
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methylphenol;4-aminophenol?
The IUPAC name of 5-amino-2-methylphenol;4-aminophenol (CID 162229145) is 5-amino-2-methylphenol;4-aminophenol.
What is the SMILES notation for 5-amino-2-methylphenol;4-aminophenol?
The canonical SMILES for 5-amino-2-methylphenol;4-aminophenol is Cc1ccc(N)cc1O.Nc1ccc(O)cc1.
What is the InChIKey of 5-amino-2-methylphenol;4-aminophenol?
The InChIKey is ZVEHORWJLGRJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO.C6H7NO/c1-5-2-3-6(8)4-7(5)9;7-5-1-3-6(8)4-2-5/h2-4,9H,8H2,1H3;1-4,8H,7H2.
What are the key properties of 5-amino-2-methylphenol;4-aminophenol?
5-amino-2-methylphenol;4-aminophenol has a molecular weight of 232.28 g/mol, XLogP of 2.26, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methylphenol;4-aminophenol is sourced from PubChem (CID 162229145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).