2-bromo-1-(4-chloro-3-ethylphenyl)propan-1-one

C11H12BrClO — CID 131030285

IUPAC2-bromo-1-(4-chloro-3-ethylphenyl)propan-1-one
SMILESCCc1cc(C(=O)C(C)Br)ccc1Cl
InChIInChI=1S/C11H12BrClO/c1-3-8-6-9(4-5-10(8)13)11(14)7(2)12/h4-7H,3H2,1-2H3
InChIKeyJGACXURELAOVDR-UHFFFAOYSA-N
MW275.57 g/mol
LogP3.87
Rot. Bonds3

About 2-bromo-1-(4-chloro-3-ethylphenyl)propan-1-one

2-bromo-1-(4-chloro-3-ethylphenyl)propan-1-one (PubChem CID 131030285) has the molecular formula C11H12BrClO and a molecular weight of 275.57 g/mol. Its IUPAC name is 2-bromo-1-(4-chloro-3-ethylphenyl)propan-1-one.

Molecular Properties

Compound Name2-bromo-1-(4-chloro-3-ethylphenyl)propan-1-one
PubChem CID131030285
Molecular FormulaC11H12BrClO
Molecular Weight275.57 g/mol
Exact Mass273.98
IUPAC Name2-bromo-1-(4-chloro-3-ethylphenyl)propan-1-one
SMILESCCc1cc(C(=O)C(C)Br)ccc1Cl
InChIInChI=1S/C11H12BrClO/c1-3-8-6-9(4-5-10(8)13)11(14)7(2)12/h4-7H,3H2,1-2H3
InChIKeyJGACXURELAOVDR-UHFFFAOYSA-N
XLogP3.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.57
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-ethylbenzoic acid
CID 21412279
1-(4-chloro-3-ethylphenyl)-2-phenylbutan-1-one
CID 146008361
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CID 22756393
2-bromo-1-[4-(chloromethyl)-3-methylphenyl]propan-1-one
CID 130882854
2-bromo-1-(3-chloro-4-methoxyphenyl)propan-1-one
CID 43144155
(2S)-2-bromo-1-(3-chloro-4-methoxyphenyl)propan-1-one
CID 93257982
1-(4-chloro-3-ethylphenyl)-2-methylprop-2-en-1-one
CID 130136666
5-bromo-1-(4-chloro-3-ethylphenyl)pentan-1-one
CID 146008336
1-[3-amino-4-(bromomethyl)phenyl]-2-bromopropan-1-one
CID 131091294
(E)-1-(4-chloro-3-ethylphenyl)but-2-en-1-one
CID 130136665
2-[5-(2-bromopropanoyl)-2-methoxyphenyl]acetic acid
CID 18706103
1-(3,4-dichlorophenyl)-2-methylbutan-1-one
CID 43344477

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(4-chloro-3-ethylphenyl)propan-1-one?
The IUPAC name of 2-bromo-1-(4-chloro-3-ethylphenyl)propan-1-one (CID 131030285) is 2-bromo-1-(4-chloro-3-ethylphenyl)propan-1-one.
What is the SMILES notation for 2-bromo-1-(4-chloro-3-ethylphenyl)propan-1-one?
The canonical SMILES for 2-bromo-1-(4-chloro-3-ethylphenyl)propan-1-one is CCc1cc(C(=O)C(C)Br)ccc1Cl.
What is the InChIKey of 2-bromo-1-(4-chloro-3-ethylphenyl)propan-1-one?
The InChIKey is JGACXURELAOVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClO/c1-3-8-6-9(4-5-10(8)13)11(14)7(2)12/h4-7H,3H2,1-2H3.
What are the key properties of 2-bromo-1-(4-chloro-3-ethylphenyl)propan-1-one?
2-bromo-1-(4-chloro-3-ethylphenyl)propan-1-one has a molecular weight of 275.57 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(4-chloro-3-ethylphenyl)propan-1-one is sourced from PubChem (CID 131030285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).