(4-hydroxyphenyl)methylazanium bromide

C7H10BrNO — CID 46835682

IUPAC(4-hydroxyphenyl)methylazanium bromide
SMILES[Br-].[NH3+]Cc1ccc(O)cc1
InChIInChI=1S/C7H9NO.BrH/c8-5-6-1-3-7(9)4-2-6;/h1-4,9H,5,8H2;1H
InChIKeyZJKNRZBDZNVNRX-UHFFFAOYSA-N
MW204.07 g/mol
LogP-2.86
Rot. Bonds1

About (4-hydroxyphenyl)methylazanium bromide

(4-hydroxyphenyl)methylazanium bromide (PubChem CID 46835682) has the molecular formula C7H10BrNO and a molecular weight of 204.07 g/mol. Its IUPAC name is (4-hydroxyphenyl)methylazanium bromide.

Molecular Properties

Compound Name(4-hydroxyphenyl)methylazanium bromide
PubChem CID46835682
Molecular FormulaC7H10BrNO
Molecular Weight204.07 g/mol
Exact Mass202.99
IUPAC Name(4-hydroxyphenyl)methylazanium bromide
SMILES[Br-].[NH3+]Cc1ccc(O)cc1
InChIInChI=1S/C7H9NO.BrH/c8-5-6-1-3-7(9)4-2-6;/h1-4,9H,5,8H2;1H
InChIKeyZJKNRZBDZNVNRX-UHFFFAOYSA-N
XLogP-2.86
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.07
LogP ≤ 5-2.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)methylazanium bromide?
The IUPAC name of (4-hydroxyphenyl)methylazanium bromide (CID 46835682) is (4-hydroxyphenyl)methylazanium bromide.
What is the SMILES notation for (4-hydroxyphenyl)methylazanium bromide?
The canonical SMILES for (4-hydroxyphenyl)methylazanium bromide is [Br-].[NH3+]Cc1ccc(O)cc1.
What is the InChIKey of (4-hydroxyphenyl)methylazanium bromide?
The InChIKey is ZJKNRZBDZNVNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO.BrH/c8-5-6-1-3-7(9)4-2-6;/h1-4,9H,5,8H2;1H.
What are the key properties of (4-hydroxyphenyl)methylazanium bromide?
(4-hydroxyphenyl)methylazanium bromide has a molecular weight of 204.07 g/mol, XLogP of -2.86, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)methylazanium bromide is sourced from PubChem (CID 46835682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).