2-bromo-1-(2-hydroxy-4,5-dimethylphenyl)ethanone

C10H11BrO2 — CID 53441682

IUPAC2-bromo-1-(2-hydroxy-4,5-dimethylphenyl)ethanone
SMILESCc1cc(O)c(C(=O)CBr)cc1C
InChIInChI=1S/C10H11BrO2/c1-6-3-8(10(13)5-11)9(12)4-7(6)2/h3-4,12H,5H2,1-2H3
InChIKeyGHGPAYHRBSHYHZ-UHFFFAOYSA-N
MW243.10 g/mol
LogP2.59
Rot. Bonds2

About 2-bromo-1-(2-hydroxy-4,5-dimethylphenyl)ethanone

2-bromo-1-(2-hydroxy-4,5-dimethylphenyl)ethanone (PubChem CID 53441682) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is 2-bromo-1-(2-hydroxy-4,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(2-hydroxy-4,5-dimethylphenyl)ethanone
PubChem CID53441682
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name2-bromo-1-(2-hydroxy-4,5-dimethylphenyl)ethanone
SMILESCc1cc(O)c(C(=O)CBr)cc1C
InChIInChI=1S/C10H11BrO2/c1-6-3-8(10(13)5-11)9(12)4-7(6)2/h3-4,12H,5H2,1-2H3
InChIKeyGHGPAYHRBSHYHZ-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
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-(2-hydroxy-4,5-dimethylphenyl)-2-(methylamino)ethanone
CID 82605179
2-bromo-1-(4,5-dimethoxy-2-methylphenyl)ethanone
CID 15643655
2-bromo-1-(4-bromo-2-iodo-5-methylphenyl)ethanone
CID 171033512
2-bromo-1-(4-bromo-2-hydroxyphenyl)ethanone
CID 91882526
2-bromo-1-(4-hydroxy-3-methylphenyl)ethanone
CID 11218449
2-bromo-1-(5-chloro-2,3-dimethylphenyl)ethanone
CID 171008499
4-(2-bromoacetyl)-3-hydroxybenzoic acid
CID 91882570
ethyl 2-[4-(2-bromoacetyl)-2-ethyl-5-hydroxyphenoxy]acetate
CID 86044059
2-bromo-1-[2-hydroxy-5-(2-hydroxyethyl)-4-methoxyphenyl]ethanone;1-[2-hydroxy-5-(2-hydroxyethyl)-4-methoxyphenyl]ethanone
CID 160727105
2-amino-1-(5-chloro-2-hydroxy-4-methylphenyl)ethanone
CID 84669092
1-(4-hydroxy-2,5-dimethylphenyl)butan-1-one
CID 81251881
3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4,5-dimethylphenyl)propan-1-one
CID 45278530

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2-hydroxy-4,5-dimethylphenyl)ethanone?
The IUPAC name of 2-bromo-1-(2-hydroxy-4,5-dimethylphenyl)ethanone (CID 53441682) is 2-bromo-1-(2-hydroxy-4,5-dimethylphenyl)ethanone.
What is the SMILES notation for 2-bromo-1-(2-hydroxy-4,5-dimethylphenyl)ethanone?
The canonical SMILES for 2-bromo-1-(2-hydroxy-4,5-dimethylphenyl)ethanone is Cc1cc(O)c(C(=O)CBr)cc1C.
What is the InChIKey of 2-bromo-1-(2-hydroxy-4,5-dimethylphenyl)ethanone?
The InChIKey is GHGPAYHRBSHYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2/c1-6-3-8(10(13)5-11)9(12)4-7(6)2/h3-4,12H,5H2,1-2H3.
What are the key properties of 2-bromo-1-(2-hydroxy-4,5-dimethylphenyl)ethanone?
2-bromo-1-(2-hydroxy-4,5-dimethylphenyl)ethanone has a molecular weight of 243.10 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2-hydroxy-4,5-dimethylphenyl)ethanone is sourced from PubChem (CID 53441682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).