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

C8H7BrO2 — CID 4964

IUPAC2-bromo-1-(4-hydroxyphenyl)ethanone
SMILESO=C(CBr)c1ccc(O)cc1
InChIInChI=1S/C8H7BrO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,10H,5H2
InChIKeyLJYOFQHKEWTQRH-UHFFFAOYSA-N
MW215.05 g/mol
LogP1.97
Rot. Bonds2

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

2-bromo-1-(4-hydroxyphenyl)ethanone (PubChem CID 4964) has the molecular formula C8H7BrO2 and a molecular weight of 215.05 g/mol. Its IUPAC name is 2-bromo-1-(4-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(4-hydroxyphenyl)ethanone
PubChem CID4964
Molecular FormulaC8H7BrO2
Molecular Weight215.05 g/mol
Exact Mass213.96
IUPAC Name2-bromo-1-(4-hydroxyphenyl)ethanone
SMILESO=C(CBr)c1ccc(O)cc1
InChIInChI=1S/C8H7BrO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,10H,5H2
InChIKeyLJYOFQHKEWTQRH-UHFFFAOYSA-N
XLogP1.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.05
LogP ≤ 51.97
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 2-bromo-1-(4-hydroxyphenyl)ethanone?
The IUPAC name of 2-bromo-1-(4-hydroxyphenyl)ethanone (CID 4964) is 2-bromo-1-(4-hydroxyphenyl)ethanone.
What is the SMILES notation for 2-bromo-1-(4-hydroxyphenyl)ethanone?
The canonical SMILES for 2-bromo-1-(4-hydroxyphenyl)ethanone is O=C(CBr)c1ccc(O)cc1.
What is the InChIKey of 2-bromo-1-(4-hydroxyphenyl)ethanone?
The InChIKey is LJYOFQHKEWTQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,10H,5H2.
What are the key properties of 2-bromo-1-(4-hydroxyphenyl)ethanone?
2-bromo-1-(4-hydroxyphenyl)ethanone has a molecular weight of 215.05 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(4-hydroxyphenyl)ethanone is sourced from PubChem (CID 4964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).