4-amino-2-(4-methylphenyl)phenol

C13H13NO — CID 22256169

IUPAC4-amino-2-(4-methylphenyl)phenol
SMILESCc1ccc(-c2cc(N)ccc2O)cc1
InChIInChI=1S/C13H13NO/c1-9-2-4-10(5-3-9)12-8-11(14)6-7-13(12)15/h2-8,15H,14H2,1H3
InChIKeyOIRVTRIKMVVEDV-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.95
Rot. Bonds1

About 4-amino-2-(4-methylphenyl)phenol

4-amino-2-(4-methylphenyl)phenol (PubChem CID 22256169) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 4-amino-2-(4-methylphenyl)phenol.

Molecular Properties

Compound Name4-amino-2-(4-methylphenyl)phenol
PubChem CID22256169
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name4-amino-2-(4-methylphenyl)phenol
SMILESCc1ccc(-c2cc(N)ccc2O)cc1
InChIInChI=1S/C13H13NO/c1-9-2-4-10(5-3-9)12-8-11(14)6-7-13(12)15/h2-8,15H,14H2,1H3
InChIKeyOIRVTRIKMVVEDV-UHFFFAOYSA-N
XLogP2.95
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 4-amino-2-(4-methylphenyl)phenol?
The IUPAC name of 4-amino-2-(4-methylphenyl)phenol (CID 22256169) is 4-amino-2-(4-methylphenyl)phenol.
What is the SMILES notation for 4-amino-2-(4-methylphenyl)phenol?
The canonical SMILES for 4-amino-2-(4-methylphenyl)phenol is Cc1ccc(-c2cc(N)ccc2O)cc1.
What is the InChIKey of 4-amino-2-(4-methylphenyl)phenol?
The InChIKey is OIRVTRIKMVVEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-9-2-4-10(5-3-9)12-8-11(14)6-7-13(12)15/h2-8,15H,14H2,1H3.
What are the key properties of 4-amino-2-(4-methylphenyl)phenol?
4-amino-2-(4-methylphenyl)phenol has a molecular weight of 199.25 g/mol, XLogP of 2.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-methylphenyl)phenol is sourced from PubChem (CID 22256169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).