1-(3-bromo-4-hydroxyphenyl)ethanone

C8H7BrO2 — CID 608094

IUPAC1-(3-bromo-4-hydroxyphenyl)ethanone
SMILESCC(=O)c1ccc(O)c(Br)c1
InChIInChI=1S/C8H7BrO2/c1-5(10)6-2-3-8(11)7(9)4-6/h2-4,11H,1H3
InChIKeyLEXAYGVHWYOOAB-UHFFFAOYSA-N
MW215.05 g/mol
LogP2.36
Rot. Bonds1

About 1-(3-bromo-4-hydroxyphenyl)ethanone

1-(3-bromo-4-hydroxyphenyl)ethanone (PubChem CID 608094) has the molecular formula C8H7BrO2 and a molecular weight of 215.05 g/mol. Its IUPAC name is 1-(3-bromo-4-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-4-hydroxyphenyl)ethanone
PubChem CID608094
Molecular FormulaC8H7BrO2
Molecular Weight215.05 g/mol
Exact Mass213.96
IUPAC Name1-(3-bromo-4-hydroxyphenyl)ethanone
SMILESCC(=O)c1ccc(O)c(Br)c1
InChIInChI=1S/C8H7BrO2/c1-5(10)6-2-3-8(11)7(9)4-6/h2-4,11H,1H3
InChIKeyLEXAYGVHWYOOAB-UHFFFAOYSA-N
XLogP2.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.05
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-hydroxyphenyl)ethanone?
The IUPAC name of 1-(3-bromo-4-hydroxyphenyl)ethanone (CID 608094) is 1-(3-bromo-4-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-(3-bromo-4-hydroxyphenyl)ethanone?
The canonical SMILES for 1-(3-bromo-4-hydroxyphenyl)ethanone is CC(=O)c1ccc(O)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-hydroxyphenyl)ethanone?
The InChIKey is LEXAYGVHWYOOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrO2/c1-5(10)6-2-3-8(11)7(9)4-6/h2-4,11H,1H3.
What are the key properties of 1-(3-bromo-4-hydroxyphenyl)ethanone?
1-(3-bromo-4-hydroxyphenyl)ethanone has a molecular weight of 215.05 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-hydroxyphenyl)ethanone is sourced from PubChem (CID 608094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).