5-amino-2-(3-bromo-5-methylphenyl)phenol

C13H12BrNO — CID 12067768

IUPAC5-amino-2-(3-bromo-5-methylphenyl)phenol
SMILESCc1cc(Br)cc(-c2ccc(N)cc2O)c1
InChIInChI=1S/C13H12BrNO/c1-8-4-9(6-10(14)5-8)12-3-2-11(15)7-13(12)16/h2-7,16H,15H2,1H3
InChIKeyKETPMWPAFODEEG-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.71
Rot. Bonds1

About 5-amino-2-(3-bromo-5-methylphenyl)phenol

5-amino-2-(3-bromo-5-methylphenyl)phenol (PubChem CID 12067768) has the molecular formula C13H12BrNO and a molecular weight of 278.15 g/mol. Its IUPAC name is 5-amino-2-(3-bromo-5-methylphenyl)phenol.

Molecular Properties

Compound Name5-amino-2-(3-bromo-5-methylphenyl)phenol
PubChem CID12067768
Molecular FormulaC13H12BrNO
Molecular Weight278.15 g/mol
Exact Mass277.01
IUPAC Name5-amino-2-(3-bromo-5-methylphenyl)phenol
SMILESCc1cc(Br)cc(-c2ccc(N)cc2O)c1
InChIInChI=1S/C13H12BrNO/c1-8-4-9(6-10(14)5-8)12-3-2-11(15)7-13(12)16/h2-7,16H,15H2,1H3
InChIKeyKETPMWPAFODEEG-UHFFFAOYSA-N
XLogP3.71
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-bromo-5-methylphenyl)phenol?
The IUPAC name of 5-amino-2-(3-bromo-5-methylphenyl)phenol (CID 12067768) is 5-amino-2-(3-bromo-5-methylphenyl)phenol.
What is the SMILES notation for 5-amino-2-(3-bromo-5-methylphenyl)phenol?
The canonical SMILES for 5-amino-2-(3-bromo-5-methylphenyl)phenol is Cc1cc(Br)cc(-c2ccc(N)cc2O)c1.
What is the InChIKey of 5-amino-2-(3-bromo-5-methylphenyl)phenol?
The InChIKey is KETPMWPAFODEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO/c1-8-4-9(6-10(14)5-8)12-3-2-11(15)7-13(12)16/h2-7,16H,15H2,1H3.
What are the key properties of 5-amino-2-(3-bromo-5-methylphenyl)phenol?
5-amino-2-(3-bromo-5-methylphenyl)phenol has a molecular weight of 278.15 g/mol, XLogP of 3.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-bromo-5-methylphenyl)phenol is sourced from PubChem (CID 12067768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).