1-(5-bromo-2-methylphenyl)-2-hydroxypropan-1-one

C10H11BrO2 — CID 83720106

IUPAC1-(5-bromo-2-methylphenyl)-2-hydroxypropan-1-one
SMILESCc1ccc(Br)cc1C(=O)C(C)O
InChIInChI=1S/C10H11BrO2/c1-6-3-4-8(11)5-9(6)10(13)7(2)12/h3-5,7,12H,1-2H3
InChIKeyRZAZOCJBMLGHCF-UHFFFAOYSA-N
MW243.10 g/mol
LogP2.32
Rot. Bonds2

About 1-(5-bromo-2-methylphenyl)-2-hydroxypropan-1-one

1-(5-bromo-2-methylphenyl)-2-hydroxypropan-1-one (PubChem CID 83720106) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-2-hydroxypropan-1-one.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-2-hydroxypropan-1-one
PubChem CID83720106
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name1-(5-bromo-2-methylphenyl)-2-hydroxypropan-1-one
SMILESCc1ccc(Br)cc1C(=O)C(C)O
InChIInChI=1S/C10H11BrO2/c1-6-3-4-8(11)5-9(6)10(13)7(2)12/h3-5,7,12H,1-2H3
InChIKeyRZAZOCJBMLGHCF-UHFFFAOYSA-N
XLogP2.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-[(5-bromo-2-methylbenzoyl)amino]pentanoic acid
CID 65308129
5-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzamide
CID 107868933
N-(1-amino-1-oxopropan-2-yl)-5-bromo-2-methylbenzamide
CID 65307034
3-(5-bromo-2-methylphenyl)-2-(2-methylphenyl)-3-oxopropanenitrile
CID 65308011
N-(1-amino-1-sulfanylidenepropan-2-yl)-5-bromo-2-methylbenzamide
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1-(5-bromo-2-methylphenyl)pentane-1,4-dione
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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-2-hydroxypropan-1-one?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-2-hydroxypropan-1-one (CID 83720106) is 1-(5-bromo-2-methylphenyl)-2-hydroxypropan-1-one.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-2-hydroxypropan-1-one?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-2-hydroxypropan-1-one is Cc1ccc(Br)cc1C(=O)C(C)O.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-2-hydroxypropan-1-one?
The InChIKey is RZAZOCJBMLGHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2/c1-6-3-4-8(11)5-9(6)10(13)7(2)12/h3-5,7,12H,1-2H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)-2-hydroxypropan-1-one?
1-(5-bromo-2-methylphenyl)-2-hydroxypropan-1-one has a molecular weight of 243.10 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)-2-hydroxypropan-1-one is sourced from PubChem (CID 83720106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).