4-(2-bromophenyl)-1-hydroxybutan-2-one

C10H11BrO2 — CID 82293550

IUPAC4-(2-bromophenyl)-1-hydroxybutan-2-one
SMILESO=C(CO)CCc1ccccc1Br
InChIInChI=1S/C10H11BrO2/c11-10-4-2-1-3-8(10)5-6-9(13)7-12/h1-4,12H,5-7H2
InChIKeyDMTQJDBSLYMJCN-UHFFFAOYSA-N
MW243.10 g/mol
LogP1.94
Rot. Bonds4

About 4-(2-bromophenyl)-1-hydroxybutan-2-one

4-(2-bromophenyl)-1-hydroxybutan-2-one (PubChem CID 82293550) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is 4-(2-bromophenyl)-1-hydroxybutan-2-one.

Molecular Properties

Compound Name4-(2-bromophenyl)-1-hydroxybutan-2-one
PubChem CID82293550
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name4-(2-bromophenyl)-1-hydroxybutan-2-one
SMILESO=C(CO)CCc1ccccc1Br
InChIInChI=1S/C10H11BrO2/c11-10-4-2-1-3-8(10)5-6-9(13)7-12/h1-4,12H,5-7H2
InChIKeyDMTQJDBSLYMJCN-UHFFFAOYSA-N
XLogP1.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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methyl 6-(2-bromophenyl)-2,4-dioxohexanoate
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ethyl 5-(2-bromophenyl)-3-oxopentanoate
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1-(2-bromophenyl)-5-hydroxypentane-1,4-dione
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methyl 4-(2-bromophenyl)-2-oxobutanoate
CID 18370164
4-(2-bromophenyl)-1-diazobutan-2-one
CID 72509435
3-(2-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide
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2-(2-bromophenyl)acetyl bromide
CID 87290551
1,5-bis(2-methylphenyl)pentan-3-one
CID 15191871
1,5-bis(2-fluorophenyl)pentan-3-one
CID 70057472

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-1-hydroxybutan-2-one?
The IUPAC name of 4-(2-bromophenyl)-1-hydroxybutan-2-one (CID 82293550) is 4-(2-bromophenyl)-1-hydroxybutan-2-one.
What is the SMILES notation for 4-(2-bromophenyl)-1-hydroxybutan-2-one?
The canonical SMILES for 4-(2-bromophenyl)-1-hydroxybutan-2-one is O=C(CO)CCc1ccccc1Br.
What is the InChIKey of 4-(2-bromophenyl)-1-hydroxybutan-2-one?
The InChIKey is DMTQJDBSLYMJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2/c11-10-4-2-1-3-8(10)5-6-9(13)7-12/h1-4,12H,5-7H2.
What are the key properties of 4-(2-bromophenyl)-1-hydroxybutan-2-one?
4-(2-bromophenyl)-1-hydroxybutan-2-one has a molecular weight of 243.10 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-1-hydroxybutan-2-one is sourced from PubChem (CID 82293550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).