1-bromo-1-(2-ethylphenyl)propan-2-one

C11H13BrO — CID 130785743

IUPAC1-bromo-1-(2-ethylphenyl)propan-2-one
SMILESCCc1ccccc1C(Br)C(C)=O
InChIInChI=1S/C11H13BrO/c1-3-9-6-4-5-7-10(9)11(12)8(2)13/h4-7,11H,3H2,1-2H3
InChIKeyGNXXVMAYOGQLFM-UHFFFAOYSA-N
MW241.13 g/mol
LogP3.27
Rot. Bonds3

About 1-bromo-1-(2-ethylphenyl)propan-2-one

1-bromo-1-(2-ethylphenyl)propan-2-one (PubChem CID 130785743) has the molecular formula C11H13BrO and a molecular weight of 241.13 g/mol. Its IUPAC name is 1-bromo-1-(2-ethylphenyl)propan-2-one.

Molecular Properties

Compound Name1-bromo-1-(2-ethylphenyl)propan-2-one
PubChem CID130785743
Molecular FormulaC11H13BrO
Molecular Weight241.13 g/mol
Exact Mass240.01
IUPAC Name1-bromo-1-(2-ethylphenyl)propan-2-one
SMILESCCc1ccccc1C(Br)C(C)=O
InChIInChI=1S/C11H13BrO/c1-3-9-6-4-5-7-10(9)11(12)8(2)13/h4-7,11H,3H2,1-2H3
InChIKeyGNXXVMAYOGQLFM-UHFFFAOYSA-N
XLogP3.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-bromo-1-(2-ethylphenyl)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromo-1-[3-(bromomethyl)-2-ethylphenyl]propan-2-one
CID 131495674
1-amino-1-(2-ethylphenyl)propan-2-one
CID 55294273
1-bromo-1-(2-ethyl-3-sulfanylphenyl)propan-2-one
CID 131093606
2-[2-(1-bromo-2-oxopropyl)-5-ethylphenyl]acetic acid
CID 170837279
2-(1-bromo-2-oxopropyl)-6-(hydroxymethyl)benzoic acid
CID 131303123
1-bromo-1-[2-(chloromethyl)-3-hydroxyphenyl]propan-2-one
CID 130983745
1-bromo-1-[3-(chloromethyl)-2-methylsulfanylphenyl]propan-2-one
CID 131388251
1-bromo-1-[3-(bromomethyl)-2-nitrophenyl]propan-2-one
CID 131513839
2-[2-(1-bromo-2-oxopropyl)-4-ethylphenyl]acetic acid
CID 170837181
(3S)-3-amino-4-(2-ethylphenyl)butan-2-one
CID 177035778
2-(2-ethylphenyl)-2-fluoroacetic acid
CID 105425429
1-bromo-1-[2-(bromomethyl)-3-hydroxyphenyl]propan-2-one
CID 131030464

Frequently Asked Questions

What is the IUPAC name of 1-bromo-1-(2-ethylphenyl)propan-2-one?
The IUPAC name of 1-bromo-1-(2-ethylphenyl)propan-2-one (CID 130785743) is 1-bromo-1-(2-ethylphenyl)propan-2-one.
What is the SMILES notation for 1-bromo-1-(2-ethylphenyl)propan-2-one?
The canonical SMILES for 1-bromo-1-(2-ethylphenyl)propan-2-one is CCc1ccccc1C(Br)C(C)=O.
What is the InChIKey of 1-bromo-1-(2-ethylphenyl)propan-2-one?
The InChIKey is GNXXVMAYOGQLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO/c1-3-9-6-4-5-7-10(9)11(12)8(2)13/h4-7,11H,3H2,1-2H3.
What are the key properties of 1-bromo-1-(2-ethylphenyl)propan-2-one?
1-bromo-1-(2-ethylphenyl)propan-2-one has a molecular weight of 241.13 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-(2-ethylphenyl)propan-2-one is sourced from PubChem (CID 130785743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).