1-(3-bromophenyl)-3-(3,4-dimethylphenyl)propan-2-one

C17H17BrO — CID 55186208

IUPAC1-(3-bromophenyl)-3-(3,4-dimethylphenyl)propan-2-one
SMILESCc1ccc(CC(=O)Cc2cccc(Br)c2)cc1C
InChIInChI=1S/C17H17BrO/c1-12-6-7-15(8-13(12)2)11-17(19)10-14-4-3-5-16(18)9-14/h3-9H,10-11H2,1-2H3
InChIKeyATLOKGADDXTEBR-UHFFFAOYSA-N
MW317.23 g/mol
LogP4.42
Rot. Bonds4

About 1-(3-bromophenyl)-3-(3,4-dimethylphenyl)propan-2-one

1-(3-bromophenyl)-3-(3,4-dimethylphenyl)propan-2-one (PubChem CID 55186208) has the molecular formula C17H17BrO and a molecular weight of 317.23 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(3,4-dimethylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(3,4-dimethylphenyl)propan-2-one
PubChem CID55186208
Molecular FormulaC17H17BrO
Molecular Weight317.23 g/mol
Exact Mass316.05
IUPAC Name1-(3-bromophenyl)-3-(3,4-dimethylphenyl)propan-2-one
SMILESCc1ccc(CC(=O)Cc2cccc(Br)c2)cc1C
InChIInChI=1S/C17H17BrO/c1-12-6-7-15(8-13(12)2)11-17(19)10-14-4-3-5-16(18)9-14/h3-9H,10-11H2,1-2H3
InChIKeyATLOKGADDXTEBR-UHFFFAOYSA-N
XLogP4.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-3-(3,4-dimethylphenyl)propan-2-one
CID 63410576
1-(4-bromophenyl)-3-(3-methylphenyl)propan-2-one
CID 60798384
1-(3,4-dimethylphenyl)-3-pyridin-3-ylpropan-2-one
CID 62551189
2-[(3-bromophenyl)methyl-[2-(3,4-dimethylphenyl)acetyl]amino]-N-propan-2-ylpropanamide
CID 133194706
1-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)propan-2-one
CID 103039318
2-(3-bromophenyl)acetate
CID 3608673
1-(5-bromo-2-fluorophenyl)-3-(3-bromophenyl)propan-2-one
CID 63409310
1-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propan-2-one
CID 62621721
1-(3-bromophenyl)-3-naphthalen-1-ylpropan-2-one
CID 63409309
3-(3-bromophenyl)-2-oxopropane-1-sulfonic acid
CID 115053028
1-(2,4-dibromophenyl)-2-(3,4-dimethylphenyl)ethanone
CID 114019091
1-(3-bromophenyl)-3-propan-2-yloxypropan-2-one
CID 79566730

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(3,4-dimethylphenyl)propan-2-one?
The IUPAC name of 1-(3-bromophenyl)-3-(3,4-dimethylphenyl)propan-2-one (CID 55186208) is 1-(3-bromophenyl)-3-(3,4-dimethylphenyl)propan-2-one.
What is the SMILES notation for 1-(3-bromophenyl)-3-(3,4-dimethylphenyl)propan-2-one?
The canonical SMILES for 1-(3-bromophenyl)-3-(3,4-dimethylphenyl)propan-2-one is Cc1ccc(CC(=O)Cc2cccc(Br)c2)cc1C.
What is the InChIKey of 1-(3-bromophenyl)-3-(3,4-dimethylphenyl)propan-2-one?
The InChIKey is ATLOKGADDXTEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO/c1-12-6-7-15(8-13(12)2)11-17(19)10-14-4-3-5-16(18)9-14/h3-9H,10-11H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-3-(3,4-dimethylphenyl)propan-2-one?
1-(3-bromophenyl)-3-(3,4-dimethylphenyl)propan-2-one has a molecular weight of 317.23 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(3,4-dimethylphenyl)propan-2-one is sourced from PubChem (CID 55186208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).