6-amino-3-bromo-2-naphthalen-1-ylphenol

C16H12BrNO — CID 67804184

IUPAC6-amino-3-bromo-2-naphthalen-1-ylphenol
SMILESNc1ccc(Br)c(-c2cccc3ccccc23)c1O
InChIInChI=1S/C16H12BrNO/c17-13-8-9-14(18)16(19)15(13)12-7-3-5-10-4-1-2-6-11(10)12/h1-9,19H,18H2
InChIKeyJODPJFUVRKLNCQ-UHFFFAOYSA-N
MW314.18 g/mol
LogP4.56
Rot. Bonds1

About 6-amino-3-bromo-2-naphthalen-1-ylphenol

6-amino-3-bromo-2-naphthalen-1-ylphenol (PubChem CID 67804184) has the molecular formula C16H12BrNO and a molecular weight of 314.18 g/mol. Its IUPAC name is 6-amino-3-bromo-2-naphthalen-1-ylphenol.

Molecular Properties

Compound Name6-amino-3-bromo-2-naphthalen-1-ylphenol
PubChem CID67804184
Molecular FormulaC16H12BrNO
Molecular Weight314.18 g/mol
Exact Mass313.01
IUPAC Name6-amino-3-bromo-2-naphthalen-1-ylphenol
SMILESNc1ccc(Br)c(-c2cccc3ccccc23)c1O
InChIInChI=1S/C16H12BrNO/c17-13-8-9-14(18)16(19)15(13)12-7-3-5-10-4-1-2-6-11(10)12/h1-9,19H,18H2
InChIKeyJODPJFUVRKLNCQ-UHFFFAOYSA-N
XLogP4.56
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-bromo-2-naphthalen-1-ylphenol?
The IUPAC name of 6-amino-3-bromo-2-naphthalen-1-ylphenol (CID 67804184) is 6-amino-3-bromo-2-naphthalen-1-ylphenol.
What is the SMILES notation for 6-amino-3-bromo-2-naphthalen-1-ylphenol?
The canonical SMILES for 6-amino-3-bromo-2-naphthalen-1-ylphenol is Nc1ccc(Br)c(-c2cccc3ccccc23)c1O.
What is the InChIKey of 6-amino-3-bromo-2-naphthalen-1-ylphenol?
The InChIKey is JODPJFUVRKLNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO/c17-13-8-9-14(18)16(19)15(13)12-7-3-5-10-4-1-2-6-11(10)12/h1-9,19H,18H2.
What are the key properties of 6-amino-3-bromo-2-naphthalen-1-ylphenol?
6-amino-3-bromo-2-naphthalen-1-ylphenol has a molecular weight of 314.18 g/mol, XLogP of 4.56, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-bromo-2-naphthalen-1-ylphenol is sourced from PubChem (CID 67804184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).