1-(4-bromo-3-chloro-2-hydroxyphenyl)propan-2-one

C9H8BrClO2 — CID 84807229

IUPAC1-(4-bromo-3-chloro-2-hydroxyphenyl)propan-2-one
SMILESCC(=O)Cc1ccc(Br)c(Cl)c1O
InChIInChI=1S/C9H8BrClO2/c1-5(12)4-6-2-3-7(10)8(11)9(6)13/h2-3,13H,4H2,1H3
InChIKeyVHBVHIASYPLBJD-UHFFFAOYSA-N
MW263.52 g/mol
LogP2.94
Rot. Bonds2

About 1-(4-bromo-3-chloro-2-hydroxyphenyl)propan-2-one

1-(4-bromo-3-chloro-2-hydroxyphenyl)propan-2-one (PubChem CID 84807229) has the molecular formula C9H8BrClO2 and a molecular weight of 263.52 g/mol. Its IUPAC name is 1-(4-bromo-3-chloro-2-hydroxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-(4-bromo-3-chloro-2-hydroxyphenyl)propan-2-one
PubChem CID84807229
Molecular FormulaC9H8BrClO2
Molecular Weight263.52 g/mol
Exact Mass261.94
IUPAC Name1-(4-bromo-3-chloro-2-hydroxyphenyl)propan-2-one
SMILESCC(=O)Cc1ccc(Br)c(Cl)c1O
InChIInChI=1S/C9H8BrClO2/c1-5(12)4-6-2-3-7(10)8(11)9(6)13/h2-3,13H,4H2,1H3
InChIKeyVHBVHIASYPLBJD-UHFFFAOYSA-N
XLogP2.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.52
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chloro-2-hydroxyphenyl)propan-2-one?
The IUPAC name of 1-(4-bromo-3-chloro-2-hydroxyphenyl)propan-2-one (CID 84807229) is 1-(4-bromo-3-chloro-2-hydroxyphenyl)propan-2-one.
What is the SMILES notation for 1-(4-bromo-3-chloro-2-hydroxyphenyl)propan-2-one?
The canonical SMILES for 1-(4-bromo-3-chloro-2-hydroxyphenyl)propan-2-one is CC(=O)Cc1ccc(Br)c(Cl)c1O.
What is the InChIKey of 1-(4-bromo-3-chloro-2-hydroxyphenyl)propan-2-one?
The InChIKey is VHBVHIASYPLBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClO2/c1-5(12)4-6-2-3-7(10)8(11)9(6)13/h2-3,13H,4H2,1H3.
What are the key properties of 1-(4-bromo-3-chloro-2-hydroxyphenyl)propan-2-one?
1-(4-bromo-3-chloro-2-hydroxyphenyl)propan-2-one has a molecular weight of 263.52 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chloro-2-hydroxyphenyl)propan-2-one is sourced from PubChem (CID 84807229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).