acetaldehyde;2-bromo-1-(4-chlorophenyl)ethanone

C10H10BrClO2 — CID 158415531

IUPACacetaldehyde;2-bromo-1-(4-chlorophenyl)ethanone
SMILESCC=O.O=C(CBr)c1ccc(Cl)cc1
InChIInChI=1S/C8H6BrClO.C2H4O/c9-5-8(11)6-1-3-7(10)4-2-6;1-2-3/h1-4H,5H2;2H,1H3
InChIKeyGZVQHCYQSOUXEJ-UHFFFAOYSA-N
MW277.55 g/mol
LogP3.12
Rot. Bonds2

About acetaldehyde;2-bromo-1-(4-chlorophenyl)ethanone

acetaldehyde;2-bromo-1-(4-chlorophenyl)ethanone (PubChem CID 158415531) has the molecular formula C10H10BrClO2 and a molecular weight of 277.55 g/mol. Its IUPAC name is acetaldehyde;2-bromo-1-(4-chlorophenyl)ethanone.

Molecular Properties

Compound Nameacetaldehyde;2-bromo-1-(4-chlorophenyl)ethanone
PubChem CID158415531
Molecular FormulaC10H10BrClO2
Molecular Weight277.55 g/mol
Exact Mass275.96
IUPAC Nameacetaldehyde;2-bromo-1-(4-chlorophenyl)ethanone
SMILESCC=O.O=C(CBr)c1ccc(Cl)cc1
InChIInChI=1S/C8H6BrClO.C2H4O/c9-5-8(11)6-1-3-7(10)4-2-6;1-2-3/h1-4H,5H2;2H,1H3
InChIKeyGZVQHCYQSOUXEJ-UHFFFAOYSA-N
XLogP3.12
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.55
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze acetaldehyde;2-bromo-1-(4-chlorophenyl)ethanone 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

3-(4-chlorophenyl)-3-oxopropanal
CID 10442356
4-(2-bromoacetyl)benzoyl chloride
CID 57372356
4-(2-bromoacetyl)benzoic acid
CID 2756836
sodium 2-bromo-1-(4-hydroxyphenyl)ethanone
CID 22027058
1-[4-[4-(2-bromoacetyl)phenyl]phenyl]propan-1-one
CID 123680970
1-(4-chlorophenyl)-3,3,3-trideuteriopropan-1-one
CID 87608045
(Z,2E)-5-chloro-1-(4-chlorophenyl)-2-ethylidenepent-3-en-1-one
CID 134597496
2-amino-1-(4-chlorophenyl)ethanone;hydrochloride
CID 2798211
1-(4-chlorophenyl)-2-methylsulfonylethanone
CID 2735795
2-bromo-1-(4-methylphenyl)ethanone;ethane;1-(4-methylphenyl)ethanone
CID 143457171
azane;2-bromo-1-(4-methoxyphenyl)ethanone
CID 118975954
2-bromo-1-phenylethanone;hydrochloride
CID 172844250

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;2-bromo-1-(4-chlorophenyl)ethanone?
The IUPAC name of acetaldehyde;2-bromo-1-(4-chlorophenyl)ethanone (CID 158415531) is acetaldehyde;2-bromo-1-(4-chlorophenyl)ethanone.
What is the SMILES notation for acetaldehyde;2-bromo-1-(4-chlorophenyl)ethanone?
The canonical SMILES for acetaldehyde;2-bromo-1-(4-chlorophenyl)ethanone is CC=O.O=C(CBr)c1ccc(Cl)cc1.
What is the InChIKey of acetaldehyde;2-bromo-1-(4-chlorophenyl)ethanone?
The InChIKey is GZVQHCYQSOUXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClO.C2H4O/c9-5-8(11)6-1-3-7(10)4-2-6;1-2-3/h1-4H,5H2;2H,1H3.
What are the key properties of acetaldehyde;2-bromo-1-(4-chlorophenyl)ethanone?
acetaldehyde;2-bromo-1-(4-chlorophenyl)ethanone has a molecular weight of 277.55 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;2-bromo-1-(4-chlorophenyl)ethanone is sourced from PubChem (CID 158415531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).