2-bromo-1-(3-ethylphenyl)-2-hydroxyethanone

C10H11BrO2 — CID 21460946

IUPAC2-bromo-1-(3-ethylphenyl)-2-hydroxyethanone
SMILESCCc1cccc(C(=O)C(O)Br)c1
InChIInChI=1S/C10H11BrO2/c1-2-7-4-3-5-8(6-7)9(12)10(11)13/h3-6,10,13H,2H2,1H3
InChIKeyHXFWKZQFGGLYQI-UHFFFAOYSA-N
MW243.10 g/mol
LogP2.14
Rot. Bonds3

About 2-bromo-1-(3-ethylphenyl)-2-hydroxyethanone

2-bromo-1-(3-ethylphenyl)-2-hydroxyethanone (PubChem CID 21460946) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is 2-bromo-1-(3-ethylphenyl)-2-hydroxyethanone.

Molecular Properties

Compound Name2-bromo-1-(3-ethylphenyl)-2-hydroxyethanone
PubChem CID21460946
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name2-bromo-1-(3-ethylphenyl)-2-hydroxyethanone
SMILESCCc1cccc(C(=O)C(O)Br)c1
InChIInChI=1S/C10H11BrO2/c1-2-7-4-3-5-8(6-7)9(12)10(11)13/h3-6,10,13H,2H2,1H3
InChIKeyHXFWKZQFGGLYQI-UHFFFAOYSA-N
XLogP2.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.14
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

2-amino-1-(3-ethylphenyl)propan-1-one
CID 57124216
3-ethylbenzoic acid;propane
CID 177324794
(2R)-2-bromo-1-(3-ethylphenyl)-2-pyridin-4-ylethanone
CID 99717827
3-amino-1-(3-ethylphenyl)-2-methylbutan-1-one
CID 116612270
2-amino-1-(3-ethylphenyl)-2-phenylethanone
CID 116551226
3-(ethylamino)-1-(3-ethylphenyl)-2-methylpropan-1-one
CID 116565290
2-(aminomethyl)-1-(3-ethylphenyl)pentan-1-one
CID 116574550
ethane;1-(3-ethylphenyl)propan-1-one
CID 142830478
chloro 3-ethylbenzoate
CID 142246460
3-ethyl-N-methylbenzamide
CID 59115297
sulfanyl 3-ethylbenzoate
CID 89208053
3-ethylbenzoic acid;isocyanic acid;hydrochloride
CID 173457186

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(3-ethylphenyl)-2-hydroxyethanone?
The IUPAC name of 2-bromo-1-(3-ethylphenyl)-2-hydroxyethanone (CID 21460946) is 2-bromo-1-(3-ethylphenyl)-2-hydroxyethanone.
What is the SMILES notation for 2-bromo-1-(3-ethylphenyl)-2-hydroxyethanone?
The canonical SMILES for 2-bromo-1-(3-ethylphenyl)-2-hydroxyethanone is CCc1cccc(C(=O)C(O)Br)c1.
What is the InChIKey of 2-bromo-1-(3-ethylphenyl)-2-hydroxyethanone?
The InChIKey is HXFWKZQFGGLYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2/c1-2-7-4-3-5-8(6-7)9(12)10(11)13/h3-6,10,13H,2H2,1H3.
What are the key properties of 2-bromo-1-(3-ethylphenyl)-2-hydroxyethanone?
2-bromo-1-(3-ethylphenyl)-2-hydroxyethanone has a molecular weight of 243.10 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(3-ethylphenyl)-2-hydroxyethanone is sourced from PubChem (CID 21460946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).