1-[4-(4-acetyl-2-bromophenyl)phenyl]ethanone

C16H13BrO2 — CID 20641223

IUPAC1-[4-(4-acetyl-2-bromophenyl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(C(C)=O)cc2Br)cc1
InChIInChI=1S/C16H13BrO2/c1-10(18)12-3-5-13(6-4-12)15-8-7-14(11(2)19)9-16(15)17/h3-9H,1-2H3
InChIKeyHSSVEJLIEMSLHA-UHFFFAOYSA-N
MW317.18 g/mol
LogP4.52
Rot. Bonds3

About 1-[4-(4-acetyl-2-bromophenyl)phenyl]ethanone

1-[4-(4-acetyl-2-bromophenyl)phenyl]ethanone (PubChem CID 20641223) has the molecular formula C16H13BrO2 and a molecular weight of 317.18 g/mol. Its IUPAC name is 1-[4-(4-acetyl-2-bromophenyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(4-acetyl-2-bromophenyl)phenyl]ethanone
PubChem CID20641223
Molecular FormulaC16H13BrO2
Molecular Weight317.18 g/mol
Exact Mass316.01
IUPAC Name1-[4-(4-acetyl-2-bromophenyl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(C(C)=O)cc2Br)cc1
InChIInChI=1S/C16H13BrO2/c1-10(18)12-3-5-13(6-4-12)15-8-7-14(11(2)19)9-16(15)17/h3-9H,1-2H3
InChIKeyHSSVEJLIEMSLHA-UHFFFAOYSA-N
XLogP4.52
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(5-acetyl-2-phenylphenyl)phenyl]ethanone
CID 141053686
1-[4-[2-[4-[2-(4-acetylphenyl)phenyl]phenyl]phenyl]phenyl]ethanone
CID 25259117
1-[3-amino-4-(2,4-dibromophenyl)phenyl]ethanone
CID 21406748
1-[4-(2-bromo-4-fluorophenyl)-3-fluorophenyl]ethanone
CID 21406811
4-(4-acetylphenyl)-3-methylbenzoic acid
CID 53226031
1-[3-bromo-4-(dimethylamino)phenyl]ethanone
CID 62908287
1-[4-bromo-3-(hydroxymethyl)phenyl]ethanone
CID 118573514
1-[4-(2-chloro-4-hydroxyphenyl)phenyl]ethanone
CID 141482327
1-(4-acetylphenyl)ethanone;methane
CID 159515104
1-[4-chloro-3-(4-fluorophenyl)phenyl]ethanone
CID 82541260
1-[4-(3-bromo-5-hydroxyphenyl)phenyl]ethanone
CID 53221795
1-[4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]ethanone
CID 102755531

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetyl-2-bromophenyl)phenyl]ethanone?
The IUPAC name of 1-[4-(4-acetyl-2-bromophenyl)phenyl]ethanone (CID 20641223) is 1-[4-(4-acetyl-2-bromophenyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(4-acetyl-2-bromophenyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(4-acetyl-2-bromophenyl)phenyl]ethanone is CC(=O)c1ccc(-c2ccc(C(C)=O)cc2Br)cc1.
What is the InChIKey of 1-[4-(4-acetyl-2-bromophenyl)phenyl]ethanone?
The InChIKey is HSSVEJLIEMSLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrO2/c1-10(18)12-3-5-13(6-4-12)15-8-7-14(11(2)19)9-16(15)17/h3-9H,1-2H3.
What are the key properties of 1-[4-(4-acetyl-2-bromophenyl)phenyl]ethanone?
1-[4-(4-acetyl-2-bromophenyl)phenyl]ethanone has a molecular weight of 317.18 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-acetyl-2-bromophenyl)phenyl]ethanone is sourced from PubChem (CID 20641223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).