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

C9H8Br2O2 — CID 131190700

IUPAC1-bromo-3-(2-bromo-4-hydroxyphenyl)propan-2-one
SMILESO=C(CBr)Cc1ccc(O)cc1Br
InChIInChI=1S/C9H8Br2O2/c10-5-8(13)3-6-1-2-7(12)4-9(6)11/h1-2,4,12H,3,5H2
InChIKeyMYQIIVRZXZFXRA-UHFFFAOYSA-N
MW307.97 g/mol
LogP2.66
Rot. Bonds3

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

1-bromo-3-(2-bromo-4-hydroxyphenyl)propan-2-one (PubChem CID 131190700) has the molecular formula C9H8Br2O2 and a molecular weight of 307.97 g/mol. Its IUPAC name is 1-bromo-3-(2-bromo-4-hydroxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-bromo-3-(2-bromo-4-hydroxyphenyl)propan-2-one
PubChem CID131190700
Molecular FormulaC9H8Br2O2
Molecular Weight307.97 g/mol
Exact Mass305.89
IUPAC Name1-bromo-3-(2-bromo-4-hydroxyphenyl)propan-2-one
SMILESO=C(CBr)Cc1ccc(O)cc1Br
InChIInChI=1S/C9H8Br2O2/c10-5-8(13)3-6-1-2-7(12)4-9(6)11/h1-2,4,12H,3,5H2
InChIKeyMYQIIVRZXZFXRA-UHFFFAOYSA-N
XLogP2.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.97
LogP ≤ 52.66
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 1-bromo-3-(2-bromo-4-hydroxyphenyl)propan-2-one?
The IUPAC name of 1-bromo-3-(2-bromo-4-hydroxyphenyl)propan-2-one (CID 131190700) is 1-bromo-3-(2-bromo-4-hydroxyphenyl)propan-2-one.
What is the SMILES notation for 1-bromo-3-(2-bromo-4-hydroxyphenyl)propan-2-one?
The canonical SMILES for 1-bromo-3-(2-bromo-4-hydroxyphenyl)propan-2-one is O=C(CBr)Cc1ccc(O)cc1Br.
What is the InChIKey of 1-bromo-3-(2-bromo-4-hydroxyphenyl)propan-2-one?
The InChIKey is MYQIIVRZXZFXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2O2/c10-5-8(13)3-6-1-2-7(12)4-9(6)11/h1-2,4,12H,3,5H2.
What are the key properties of 1-bromo-3-(2-bromo-4-hydroxyphenyl)propan-2-one?
1-bromo-3-(2-bromo-4-hydroxyphenyl)propan-2-one has a molecular weight of 307.97 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(2-bromo-4-hydroxyphenyl)propan-2-one is sourced from PubChem (CID 131190700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).