1-[2-[bromo-(4-chlorophenyl)bismuthanyl]phenyl]ethanone

C14H11BiBrClO — CID 15192518

IUPAC1-[2-[bromo-(4-chlorophenyl)bismuthanyl]phenyl]ethanone
SMILESCC(=O)c1ccccc1[Bi](Br)c1ccc(Cl)cc1
InChIInChI=1S/C8H7O.C6H4Cl.Bi.BrH/c1-7(9)8-5-3-2-4-6-8;7-6-4-2-1-3-5-6;;/h2-5H,1H3;2-5H;;1H/q;;+1;/p-1
InChIKeyZTALLSKGGYYCIW-UHFFFAOYSA-M
MW519.58 g/mol
LogP3.04
Rot. Bonds3

About 1-[2-[bromo-(4-chlorophenyl)bismuthanyl]phenyl]ethanone

1-[2-[bromo-(4-chlorophenyl)bismuthanyl]phenyl]ethanone (PubChem CID 15192518) has the molecular formula C14H11BiBrClO and a molecular weight of 519.58 g/mol. Its IUPAC name is 1-[2-[bromo-(4-chlorophenyl)bismuthanyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[bromo-(4-chlorophenyl)bismuthanyl]phenyl]ethanone
PubChem CID15192518
Molecular FormulaC14H11BiBrClO
Molecular Weight519.58 g/mol
Exact Mass517.95
IUPAC Name1-[2-[bromo-(4-chlorophenyl)bismuthanyl]phenyl]ethanone
SMILESCC(=O)c1ccccc1[Bi](Br)c1ccc(Cl)cc1
InChIInChI=1S/C8H7O.C6H4Cl.Bi.BrH/c1-7(9)8-5-3-2-4-6-8;7-6-4-2-1-3-5-6;;/h2-5H,1H3;2-5H;;1H/q;;+1;/p-1
InChIKeyZTALLSKGGYYCIW-UHFFFAOYSA-M
XLogP3.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.58
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[2-[bromo-(4-chlorophenyl)bismuthanyl]phenyl]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

1-[2-(4-chlorobenzoyl)phenyl]ethanone
CID 2800946
1-(2-chlorophenyl)ethanone;hydrochloride
CID 174743581
1-[2-[(4-chlorophenyl)methoxy]phenyl]ethanone
CID 2763955
1-(2-acetylphenyl)ethanone;methane
CID 158210616
2-bromo-1-(2-chlorophenyl)ethanone;1-(2-chlorophenyl)ethanone
CID 161063575
cerium;1-(2-hydroxyphenyl)ethanone
CID 174280590
1,4-dichlorobenzene;phthalic acid
CID 146444395
1-(2-acetylphenyl)-2-bromoethanone
CID 10037328
butane-2,3-dione;chlorobenzene
CID 157270090
2-(2-acetylphenyl)sulfanyl-N-(4-chlorophenyl)acetamide
CID 100753352
bis(1-(2-hydroxyphenyl)ethanone);zirconium
CID 87865139
acetaldehyde;1-(2-acetylphenyl)ethanone
CID 159210458

Frequently Asked Questions

What is the IUPAC name of 1-[2-[bromo-(4-chlorophenyl)bismuthanyl]phenyl]ethanone?
The IUPAC name of 1-[2-[bromo-(4-chlorophenyl)bismuthanyl]phenyl]ethanone (CID 15192518) is 1-[2-[bromo-(4-chlorophenyl)bismuthanyl]phenyl]ethanone.
What is the SMILES notation for 1-[2-[bromo-(4-chlorophenyl)bismuthanyl]phenyl]ethanone?
The canonical SMILES for 1-[2-[bromo-(4-chlorophenyl)bismuthanyl]phenyl]ethanone is CC(=O)c1ccccc1[Bi](Br)c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-[bromo-(4-chlorophenyl)bismuthanyl]phenyl]ethanone?
The InChIKey is ZTALLSKGGYYCIW-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H7O.C6H4Cl.Bi.BrH/c1-7(9)8-5-3-2-4-6-8;7-6-4-2-1-3-5-6;;/h2-5H,1H3;2-5H;;1H/q;;+1;/p-1.
What are the key properties of 1-[2-[bromo-(4-chlorophenyl)bismuthanyl]phenyl]ethanone?
1-[2-[bromo-(4-chlorophenyl)bismuthanyl]phenyl]ethanone has a molecular weight of 519.58 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bromo-(4-chlorophenyl)bismuthanyl]phenyl]ethanone is sourced from PubChem (CID 15192518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).