1-(3,5-dibromo-4-hydroxyphenyl)-2-methylpropan-1-one

C10H10Br2O2 — CID 81252335

IUPAC1-(3,5-dibromo-4-hydroxyphenyl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C10H10Br2O2/c1-5(2)9(13)6-3-7(11)10(14)8(12)4-6/h3-5,14H,1-2H3
InChIKeyMXKAUTQMCIAZOW-UHFFFAOYSA-N
MW322.00 g/mol
LogP3.76
Rot. Bonds2

About 1-(3,5-dibromo-4-hydroxyphenyl)-2-methylpropan-1-one

1-(3,5-dibromo-4-hydroxyphenyl)-2-methylpropan-1-one (PubChem CID 81252335) has the molecular formula C10H10Br2O2 and a molecular weight of 322.00 g/mol. Its IUPAC name is 1-(3,5-dibromo-4-hydroxyphenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3,5-dibromo-4-hydroxyphenyl)-2-methylpropan-1-one
PubChem CID81252335
Molecular FormulaC10H10Br2O2
Molecular Weight322.00 g/mol
Exact Mass319.90
IUPAC Name1-(3,5-dibromo-4-hydroxyphenyl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C10H10Br2O2/c1-5(2)9(13)6-3-7(11)10(14)8(12)4-6/h3-5,14H,1-2H3
InChIKeyMXKAUTQMCIAZOW-UHFFFAOYSA-N
XLogP3.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.00
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(3,4,5-trihydroxyphenyl)propan-1-one
CID 162169030
1-(3-bromo-5-chlorophenyl)-2-methylpropan-1-one
CID 103942633
1-(6-bromonaphthalen-2-yl)-2-methylpropan-1-one
CID 114962080
1-(3-bromo-4-ethoxyphenyl)-2-methylpropan-1-one
CID 104656822
1-(9-bromo-2,3,4,5-tetrahydro-1-benzoxepin-7-yl)-2-methylpropan-1-one
CID 82251830
2-bromo-5-(2-methylpropanoyl)benzonitrile
CID 145269853
1-[3-acetyl-5-[3-acetyl-5-(2-methylpropanoyl)phenoxy]phenyl]-2-methylpropan-1-one
CID 167100943
1-(5-bromo-3-pyridinyl)-2-methylpropan-1-one
CID 20782622
1-[3-(3,5-diacetylphenoxy)-5-(2-methylpropanoyl)phenyl]-2-methylpropan-1-one
CID 155206864
2-methyl-1-[5-(2-methylpropanoyl)-3-pyridinyl]propan-1-one
CID 59440305
2-methyl-1-[2,4,6-trihydroxy-3-(2-methylpropanoyl)phenyl]propan-1-one
CID 15659412
methyl 3-bromo-4-hydroxy-5-(1-hydroxyethyl)benzoate
CID 163691960

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromo-4-hydroxyphenyl)-2-methylpropan-1-one?
The IUPAC name of 1-(3,5-dibromo-4-hydroxyphenyl)-2-methylpropan-1-one (CID 81252335) is 1-(3,5-dibromo-4-hydroxyphenyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(3,5-dibromo-4-hydroxyphenyl)-2-methylpropan-1-one?
The canonical SMILES for 1-(3,5-dibromo-4-hydroxyphenyl)-2-methylpropan-1-one is CC(C)C(=O)c1cc(Br)c(O)c(Br)c1.
What is the InChIKey of 1-(3,5-dibromo-4-hydroxyphenyl)-2-methylpropan-1-one?
The InChIKey is MXKAUTQMCIAZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2O2/c1-5(2)9(13)6-3-7(11)10(14)8(12)4-6/h3-5,14H,1-2H3.
What are the key properties of 1-(3,5-dibromo-4-hydroxyphenyl)-2-methylpropan-1-one?
1-(3,5-dibromo-4-hydroxyphenyl)-2-methylpropan-1-one has a molecular weight of 322.00 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromo-4-hydroxyphenyl)-2-methylpropan-1-one is sourced from PubChem (CID 81252335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).