1-(4-bromo-2,6-dimethylphenyl)-3-phenylpropan-1-one

C17H17BrO — CID 146011150

IUPAC1-(4-bromo-2,6-dimethylphenyl)-3-phenylpropan-1-one
SMILESCc1cc(Br)cc(C)c1C(=O)CCc1ccccc1
InChIInChI=1S/C17H17BrO/c1-12-10-15(18)11-13(2)17(12)16(19)9-8-14-6-4-3-5-7-14/h3-7,10-11H,8-9H2,1-2H3
InChIKeyBQPZZWXGOGAUJI-UHFFFAOYSA-N
MW317.23 g/mol
LogP4.88
Rot. Bonds4

About 1-(4-bromo-2,6-dimethylphenyl)-3-phenylpropan-1-one

1-(4-bromo-2,6-dimethylphenyl)-3-phenylpropan-1-one (PubChem CID 146011150) has the molecular formula C17H17BrO and a molecular weight of 317.23 g/mol. Its IUPAC name is 1-(4-bromo-2,6-dimethylphenyl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(4-bromo-2,6-dimethylphenyl)-3-phenylpropan-1-one
PubChem CID146011150
Molecular FormulaC17H17BrO
Molecular Weight317.23 g/mol
Exact Mass316.05
IUPAC Name1-(4-bromo-2,6-dimethylphenyl)-3-phenylpropan-1-one
SMILESCc1cc(Br)cc(C)c1C(=O)CCc1ccccc1
InChIInChI=1S/C17H17BrO/c1-12-10-15(18)11-13(2)17(12)16(19)9-8-14-6-4-3-5-7-14/h3-7,10-11H,8-9H2,1-2H3
InChIKeyBQPZZWXGOGAUJI-UHFFFAOYSA-N
XLogP4.88
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 ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2,6-dimethylphenyl)-2-phenylmethoxyethanone
CID 146011151
1-(2,6-dimethylphenyl)-3-(3-methylphenyl)propan-1-one
CID 24725685
methyl 4-(4-bromo-2,6-dimethylphenyl)-4-oxobutanoate
CID 146011126
3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one
CID 10802865
1-(5-bromo-1-methylindol-2-yl)-3-phenylpropan-1-one
CID 155205410
1-(3-methylthiophen-2-yl)-3-phenylpropan-1-one
CID 59179659
1-(2,6-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-one
CID 24725838
1-(6-bromonaphthalen-2-yl)-3-phenylpropan-1-one
CID 114962828
1-[2,6-dihydroxy-4-(hydroxymethyl)-3-methylphenyl]-3-phenylpropan-1-one
CID 58663400
1-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-3-phenylpropan-1-one
CID 15747330
1-(2,5-dimethylthiophen-3-yl)-3-phenylpropan-1-one
CID 43161377
2-(4-bromo-2,6-dimethylphenoxy)-N'-(3-phenylpropanoyl)propanehydrazide
CID 4961108

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-dimethylphenyl)-3-phenylpropan-1-one?
The IUPAC name of 1-(4-bromo-2,6-dimethylphenyl)-3-phenylpropan-1-one (CID 146011150) is 1-(4-bromo-2,6-dimethylphenyl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(4-bromo-2,6-dimethylphenyl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(4-bromo-2,6-dimethylphenyl)-3-phenylpropan-1-one is Cc1cc(Br)cc(C)c1C(=O)CCc1ccccc1.
What is the InChIKey of 1-(4-bromo-2,6-dimethylphenyl)-3-phenylpropan-1-one?
The InChIKey is BQPZZWXGOGAUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO/c1-12-10-15(18)11-13(2)17(12)16(19)9-8-14-6-4-3-5-7-14/h3-7,10-11H,8-9H2,1-2H3.
What are the key properties of 1-(4-bromo-2,6-dimethylphenyl)-3-phenylpropan-1-one?
1-(4-bromo-2,6-dimethylphenyl)-3-phenylpropan-1-one has a molecular weight of 317.23 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-dimethylphenyl)-3-phenylpropan-1-one is sourced from PubChem (CID 146011150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).