1-(4-bromo-2,6-dimethylphenyl)-2-phenylmethoxyethanone

C17H17BrO2 — CID 146011151

IUPAC1-(4-bromo-2,6-dimethylphenyl)-2-phenylmethoxyethanone
SMILESCc1cc(Br)cc(C)c1C(=O)COCc1ccccc1
InChIInChI=1S/C17H17BrO2/c1-12-8-15(18)9-13(2)17(12)16(19)11-20-10-14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3
InChIKeyAQYSQZUVRMACML-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.47
Rot. Bonds5

About 1-(4-bromo-2,6-dimethylphenyl)-2-phenylmethoxyethanone

1-(4-bromo-2,6-dimethylphenyl)-2-phenylmethoxyethanone (PubChem CID 146011151) has the molecular formula C17H17BrO2 and a molecular weight of 333.23 g/mol. Its IUPAC name is 1-(4-bromo-2,6-dimethylphenyl)-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-(4-bromo-2,6-dimethylphenyl)-2-phenylmethoxyethanone
PubChem CID146011151
Molecular FormulaC17H17BrO2
Molecular Weight333.23 g/mol
Exact Mass332.04
IUPAC Name1-(4-bromo-2,6-dimethylphenyl)-2-phenylmethoxyethanone
SMILESCc1cc(Br)cc(C)c1C(=O)COCc1ccccc1
InChIInChI=1S/C17H17BrO2/c1-12-8-15(18)9-13(2)17(12)16(19)11-20-10-14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3
InChIKeyAQYSQZUVRMACML-UHFFFAOYSA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2,6-difluorophenyl)-2-phenylmethoxyethanone
CID 146011181
1-(4-bromo-2,6-dimethylphenyl)-3-phenylpropan-1-one
CID 146011150
1-(2-methylphenyl)-2-phenylmethoxyethanone
CID 62029251
1-(4-bromo-2-chlorophenyl)-2-phenylmethoxyethanone
CID 146010879
3-amino-4-(2-phenylmethoxyacetyl)cyclobut-3-ene-1,2-dione
CID 142659143
1-(2-chloro-3-methylphenyl)-2-phenylmethoxyethanone
CID 146009929
1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylmethoxyethanone
CID 102233436
N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide
CID 3341673
benzyl 4-bromo-2-methylbenzoate
CID 22568915
acetic acid;phenylmethoxymethylbenzene
CID 175214238
1-(methylamino)-3-phenylmethoxypropan-2-one
CID 143048834
2-phenylmethoxy-1-(2-propan-2-ylphenyl)ethanone
CID 146007162

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-dimethylphenyl)-2-phenylmethoxyethanone?
The IUPAC name of 1-(4-bromo-2,6-dimethylphenyl)-2-phenylmethoxyethanone (CID 146011151) is 1-(4-bromo-2,6-dimethylphenyl)-2-phenylmethoxyethanone.
What is the SMILES notation for 1-(4-bromo-2,6-dimethylphenyl)-2-phenylmethoxyethanone?
The canonical SMILES for 1-(4-bromo-2,6-dimethylphenyl)-2-phenylmethoxyethanone is Cc1cc(Br)cc(C)c1C(=O)COCc1ccccc1.
What is the InChIKey of 1-(4-bromo-2,6-dimethylphenyl)-2-phenylmethoxyethanone?
The InChIKey is AQYSQZUVRMACML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO2/c1-12-8-15(18)9-13(2)17(12)16(19)11-20-10-14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3.
What are the key properties of 1-(4-bromo-2,6-dimethylphenyl)-2-phenylmethoxyethanone?
1-(4-bromo-2,6-dimethylphenyl)-2-phenylmethoxyethanone has a molecular weight of 333.23 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-dimethylphenyl)-2-phenylmethoxyethanone is sourced from PubChem (CID 146011151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).