sodium 2-bromo-1-(4-hydroxyphenyl)ethanone

C8H7BrNaO2+ — CID 22027058

IUPACsodium 2-bromo-1-(4-hydroxyphenyl)ethanone
SMILESO=C(CBr)c1ccc(O)cc1.[Na+]
InChIInChI=1S/C8H7BrO2.Na/c9-5-8(11)6-1-3-7(10)4-2-6;/h1-4,10H,5H2;/q;+1
InChIKeyHJYDUFNDJKQHJF-UHFFFAOYSA-N
MW238.04 g/mol
LogP-1.03
Rot. Bonds2

About sodium 2-bromo-1-(4-hydroxyphenyl)ethanone

sodium 2-bromo-1-(4-hydroxyphenyl)ethanone (PubChem CID 22027058) has the molecular formula C8H7BrNaO2+ and a molecular weight of 238.04 g/mol. Its IUPAC name is sodium 2-bromo-1-(4-hydroxyphenyl)ethanone.

Molecular Properties

Compound Namesodium 2-bromo-1-(4-hydroxyphenyl)ethanone
PubChem CID22027058
Molecular FormulaC8H7BrNaO2+
Molecular Weight238.04 g/mol
Exact Mass236.95
IUPAC Namesodium 2-bromo-1-(4-hydroxyphenyl)ethanone
SMILESO=C(CBr)c1ccc(O)cc1.[Na+]
InChIInChI=1S/C8H7BrO2.Na/c9-5-8(11)6-1-3-7(10)4-2-6;/h1-4,10H,5H2;/q;+1
InChIKeyHJYDUFNDJKQHJF-UHFFFAOYSA-N
XLogP-1.03
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.04
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium 2-bromo-1-(4-hydroxyphenyl)ethanone?
The IUPAC name of sodium 2-bromo-1-(4-hydroxyphenyl)ethanone (CID 22027058) is sodium 2-bromo-1-(4-hydroxyphenyl)ethanone.
What is the SMILES notation for sodium 2-bromo-1-(4-hydroxyphenyl)ethanone?
The canonical SMILES for sodium 2-bromo-1-(4-hydroxyphenyl)ethanone is O=C(CBr)c1ccc(O)cc1.[Na+].
What is the InChIKey of sodium 2-bromo-1-(4-hydroxyphenyl)ethanone?
The InChIKey is HJYDUFNDJKQHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrO2.Na/c9-5-8(11)6-1-3-7(10)4-2-6;/h1-4,10H,5H2;/q;+1.
What are the key properties of sodium 2-bromo-1-(4-hydroxyphenyl)ethanone?
sodium 2-bromo-1-(4-hydroxyphenyl)ethanone has a molecular weight of 238.04 g/mol, XLogP of -1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-bromo-1-(4-hydroxyphenyl)ethanone is sourced from PubChem (CID 22027058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).