1-(5-bromo-2-hydroxyphenyl)propan-1-one

C9H9BrO2 — CID 736409

IUPAC1-(5-bromo-2-hydroxyphenyl)propan-1-one
SMILESCCC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C9H9BrO2/c1-2-8(11)7-5-6(10)3-4-9(7)12/h3-5,12H,2H2,1H3
InChIKeyNDXLYRKTHTZXRC-UHFFFAOYSA-N
MW229.07 g/mol
LogP2.75
Rot. Bonds2

About 1-(5-bromo-2-hydroxyphenyl)propan-1-one

1-(5-bromo-2-hydroxyphenyl)propan-1-one (PubChem CID 736409) has the molecular formula C9H9BrO2 and a molecular weight of 229.07 g/mol. Its IUPAC name is 1-(5-bromo-2-hydroxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(5-bromo-2-hydroxyphenyl)propan-1-one
PubChem CID736409
Molecular FormulaC9H9BrO2
Molecular Weight229.07 g/mol
Exact Mass227.98
IUPAC Name1-(5-bromo-2-hydroxyphenyl)propan-1-one
SMILESCCC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C9H9BrO2/c1-2-8(11)7-5-6(10)3-4-9(7)12/h3-5,12H,2H2,1H3
InChIKeyNDXLYRKTHTZXRC-UHFFFAOYSA-N
XLogP2.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-hydroxyphenyl)propan-1-one?
The IUPAC name of 1-(5-bromo-2-hydroxyphenyl)propan-1-one (CID 736409) is 1-(5-bromo-2-hydroxyphenyl)propan-1-one.
What is the SMILES notation for 1-(5-bromo-2-hydroxyphenyl)propan-1-one?
The canonical SMILES for 1-(5-bromo-2-hydroxyphenyl)propan-1-one is CCC(=O)c1cc(Br)ccc1O.
What is the InChIKey of 1-(5-bromo-2-hydroxyphenyl)propan-1-one?
The InChIKey is NDXLYRKTHTZXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO2/c1-2-8(11)7-5-6(10)3-4-9(7)12/h3-5,12H,2H2,1H3.
What are the key properties of 1-(5-bromo-2-hydroxyphenyl)propan-1-one?
1-(5-bromo-2-hydroxyphenyl)propan-1-one has a molecular weight of 229.07 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-hydroxyphenyl)propan-1-one is sourced from PubChem (CID 736409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).