1-(3-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanone

C17H16BrClO — CID 114968423

IUPAC1-(3-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(CC(=O)c2cccc(Br)c2Cl)cc1
InChIInChI=1S/C17H16BrClO/c1-11(2)13-8-6-12(7-9-13)10-16(20)14-4-3-5-15(18)17(14)19/h3-9,11H,10H2,1-2H3
InChIKeyNWRHTCXPTIPGLA-UHFFFAOYSA-N
MW351.67 g/mol
LogP5.65
Rot. Bonds4

About 1-(3-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanone

1-(3-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanone (PubChem CID 114968423) has the molecular formula C17H16BrClO and a molecular weight of 351.67 g/mol. Its IUPAC name is 1-(3-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanone
PubChem CID114968423
Molecular FormulaC17H16BrClO
Molecular Weight351.67 g/mol
Exact Mass350.01
IUPAC Name1-(3-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(CC(=O)c2cccc(Br)c2Cl)cc1
InChIInChI=1S/C17H16BrClO/c1-11(2)13-8-6-12(7-9-13)10-16(20)14-4-3-5-15(18)17(14)19/h3-9,11H,10H2,1-2H3
InChIKeyNWRHTCXPTIPGLA-UHFFFAOYSA-N
XLogP5.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.67
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-3-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 114968326
1-(3-bromo-2-chlorophenyl)-2-(3-fluorophenyl)ethanone
CID 113403008
1-(3-bromo-2-chlorophenyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 114965321
1-(3-bromo-2-chlorophenyl)-2-(4-bromo-2-chlorophenyl)ethanone
CID 115802017
1-(3-bromo-2-chlorophenyl)pent-3-yn-1-one
CID 114965007
1-(3-bromo-2-chlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 115812770
1-(3,5-dichlorophenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 114968359
1-(3-bromo-2-chlorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 114978090
1-(3-bromo-2-chlorophenyl)nonan-1-one
CID 114966915
1-(2-amino-5-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 82685660
(3-bromo-2-chlorophenyl)-(2-ethylphenyl)methanone
CID 141141548
1-(4-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 114968366

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 1-(3-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanone (CID 114968423) is 1-(3-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 1-(3-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 1-(3-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanone is CC(C)c1ccc(CC(=O)c2cccc(Br)c2Cl)cc1.
What is the InChIKey of 1-(3-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanone?
The InChIKey is NWRHTCXPTIPGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClO/c1-11(2)13-8-6-12(7-9-13)10-16(20)14-4-3-5-15(18)17(14)19/h3-9,11H,10H2,1-2H3.
What are the key properties of 1-(3-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanone?
1-(3-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanone has a molecular weight of 351.67 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 114968423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).