1-(5-bromo-4-ethyl-2-hydroxyphenyl)-2-methylpropan-1-one

C12H15BrO2 — CID 83903585

IUPAC1-(5-bromo-4-ethyl-2-hydroxyphenyl)-2-methylpropan-1-one
SMILESCCc1cc(O)c(C(=O)C(C)C)cc1Br
InChIInChI=1S/C12H15BrO2/c1-4-8-5-11(14)9(6-10(8)13)12(15)7(2)3/h5-7,14H,4H2,1-3H3
InChIKeyAXZZJCAAMQLITJ-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.56
Rot. Bonds3

About 1-(5-bromo-4-ethyl-2-hydroxyphenyl)-2-methylpropan-1-one

1-(5-bromo-4-ethyl-2-hydroxyphenyl)-2-methylpropan-1-one (PubChem CID 83903585) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is 1-(5-bromo-4-ethyl-2-hydroxyphenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(5-bromo-4-ethyl-2-hydroxyphenyl)-2-methylpropan-1-one
PubChem CID83903585
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name1-(5-bromo-4-ethyl-2-hydroxyphenyl)-2-methylpropan-1-one
SMILESCCc1cc(O)c(C(=O)C(C)C)cc1Br
InChIInChI=1S/C12H15BrO2/c1-4-8-5-11(14)9(6-10(8)13)12(15)7(2)3/h5-7,14H,4H2,1-3H3
InChIKeyAXZZJCAAMQLITJ-UHFFFAOYSA-N
XLogP3.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 91027917
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5-bromo-4-ethyl-2-fluorobenzoic acid
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1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methylpropan-1-one
CID 45272516
1-(2-bromo-6-ethyl-4-fluorophenyl)-2-methylpropan-1-one
CID 167085675
1-(3,5-dibromo-4-hydroxyphenyl)-2-methylpropan-1-one
CID 81252335
1-(5-bromo-2-methoxy-4-methylphenyl)-2-methylpropan-1-one
CID 65439526
1-(2-hydroxy-5-methoxyphenyl)-2-methylpropan-1-one
CID 15267102
1-bromo-2-ethyl-4,5-dimethylbenzene
CID 90213759
5-bromo-4-ethyl-2-(6-methylheptan-3-yloxycarbonyl)benzoic acid
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N-[3-hydroxy-4-(2-methylpropanoyl)phenyl]acetamide
CID 39334526

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-ethyl-2-hydroxyphenyl)-2-methylpropan-1-one?
The IUPAC name of 1-(5-bromo-4-ethyl-2-hydroxyphenyl)-2-methylpropan-1-one (CID 83903585) is 1-(5-bromo-4-ethyl-2-hydroxyphenyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(5-bromo-4-ethyl-2-hydroxyphenyl)-2-methylpropan-1-one?
The canonical SMILES for 1-(5-bromo-4-ethyl-2-hydroxyphenyl)-2-methylpropan-1-one is CCc1cc(O)c(C(=O)C(C)C)cc1Br.
What is the InChIKey of 1-(5-bromo-4-ethyl-2-hydroxyphenyl)-2-methylpropan-1-one?
The InChIKey is AXZZJCAAMQLITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO2/c1-4-8-5-11(14)9(6-10(8)13)12(15)7(2)3/h5-7,14H,4H2,1-3H3.
What are the key properties of 1-(5-bromo-4-ethyl-2-hydroxyphenyl)-2-methylpropan-1-one?
1-(5-bromo-4-ethyl-2-hydroxyphenyl)-2-methylpropan-1-one has a molecular weight of 271.15 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-ethyl-2-hydroxyphenyl)-2-methylpropan-1-one is sourced from PubChem (CID 83903585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).