1-bromo-1-[2-bromo-5-(hydroxymethyl)phenyl]propan-2-one

C10H10Br2O2 — CID 131190688

IUPAC1-bromo-1-[2-bromo-5-(hydroxymethyl)phenyl]propan-2-one
SMILESCC(=O)C(Br)c1cc(CO)ccc1Br
InChIInChI=1S/C10H10Br2O2/c1-6(14)10(12)8-4-7(5-13)2-3-9(8)11/h2-4,10,13H,5H2,1H3
InChIKeyFLCFXSOWDOBEOT-UHFFFAOYSA-N
MW322.00 g/mol
LogP2.97
Rot. Bonds3

About 1-bromo-1-[2-bromo-5-(hydroxymethyl)phenyl]propan-2-one

1-bromo-1-[2-bromo-5-(hydroxymethyl)phenyl]propan-2-one (PubChem CID 131190688) has the molecular formula C10H10Br2O2 and a molecular weight of 322.00 g/mol. Its IUPAC name is 1-bromo-1-[2-bromo-5-(hydroxymethyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-bromo-1-[2-bromo-5-(hydroxymethyl)phenyl]propan-2-one
PubChem CID131190688
Molecular FormulaC10H10Br2O2
Molecular Weight322.00 g/mol
Exact Mass319.90
IUPAC Name1-bromo-1-[2-bromo-5-(hydroxymethyl)phenyl]propan-2-one
SMILESCC(=O)C(Br)c1cc(CO)ccc1Br
InChIInChI=1S/C10H10Br2O2/c1-6(14)10(12)8-4-7(5-13)2-3-9(8)11/h2-4,10,13H,5H2,1H3
InChIKeyFLCFXSOWDOBEOT-UHFFFAOYSA-N
XLogP2.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.00
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-bromo-1-[2-bromo-5-(chloromethyl)phenyl]propan-2-one
CID 130882892
1-bromo-1-[5-(hydroxymethyl)-2-iodophenyl]propan-2-one
CID 131145021
2-[2-bromo-4-(hydroxymethyl)phenyl]propanoic acid
CID 84806104
ethyl 2-(1-bromo-2-oxopropyl)-5-(hydroxymethyl)benzoate
CID 134641980
1-bromo-1-[5-(bromomethyl)-2-sulfanylphenyl]propan-2-one
CID 131054434
2-[2-(1-bromo-2-oxopropyl)-4-ethylphenyl]acetic acid
CID 170837181
1-bromo-1-[2-(difluoromethyl)-5-ethylphenyl]propan-2-one
CID 131366426
1-[2-bromo-4-(hydroxymethyl)phenyl]propan-2-one
CID 118830117
2-(1-bromo-2-oxopropyl)-4-ethylbenzonitrile
CID 131399567
2-bromo-5-(hydroxymethyl)benzoic acid
CID 58334636
1-bromo-1-[5-chloro-2-(hydroxymethyl)phenyl]propan-2-one
CID 130864232
1-[2-amino-4-(chloromethyl)phenyl]-1-bromopropan-2-one
CID 118849185

Frequently Asked Questions

What is the IUPAC name of 1-bromo-1-[2-bromo-5-(hydroxymethyl)phenyl]propan-2-one?
The IUPAC name of 1-bromo-1-[2-bromo-5-(hydroxymethyl)phenyl]propan-2-one (CID 131190688) is 1-bromo-1-[2-bromo-5-(hydroxymethyl)phenyl]propan-2-one.
What is the SMILES notation for 1-bromo-1-[2-bromo-5-(hydroxymethyl)phenyl]propan-2-one?
The canonical SMILES for 1-bromo-1-[2-bromo-5-(hydroxymethyl)phenyl]propan-2-one is CC(=O)C(Br)c1cc(CO)ccc1Br.
What is the InChIKey of 1-bromo-1-[2-bromo-5-(hydroxymethyl)phenyl]propan-2-one?
The InChIKey is FLCFXSOWDOBEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2O2/c1-6(14)10(12)8-4-7(5-13)2-3-9(8)11/h2-4,10,13H,5H2,1H3.
What are the key properties of 1-bromo-1-[2-bromo-5-(hydroxymethyl)phenyl]propan-2-one?
1-bromo-1-[2-bromo-5-(hydroxymethyl)phenyl]propan-2-one has a molecular weight of 322.00 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-[2-bromo-5-(hydroxymethyl)phenyl]propan-2-one is sourced from PubChem (CID 131190688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).