1-(2-bromo-5-methoxyphenyl)-2-(2,6-dimethylphenyl)ethanone

C17H17BrO2 — CID 105123568

IUPAC1-(2-bromo-5-methoxyphenyl)-2-(2,6-dimethylphenyl)ethanone
SMILESCOc1ccc(Br)c(C(=O)Cc2c(C)cccc2C)c1
InChIInChI=1S/C17H17BrO2/c1-11-5-4-6-12(2)14(11)10-17(19)15-9-13(20-3)7-8-16(15)18/h4-9H,10H2,1-3H3
InChIKeyMCHQZNKEHPQKGR-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.50
Rot. Bonds4

About 1-(2-bromo-5-methoxyphenyl)-2-(2,6-dimethylphenyl)ethanone

1-(2-bromo-5-methoxyphenyl)-2-(2,6-dimethylphenyl)ethanone (PubChem CID 105123568) has the molecular formula C17H17BrO2 and a molecular weight of 333.23 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-2-(2,6-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-2-(2,6-dimethylphenyl)ethanone
PubChem CID105123568
Molecular FormulaC17H17BrO2
Molecular Weight333.23 g/mol
Exact Mass332.04
IUPAC Name1-(2-bromo-5-methoxyphenyl)-2-(2,6-dimethylphenyl)ethanone
SMILESCOc1ccc(Br)c(C(=O)Cc2c(C)cccc2C)c1
InChIInChI=1S/C17H17BrO2/c1-11-5-4-6-12(2)14(11)10-17(19)15-9-13(20-3)7-8-16(15)18/h4-9H,10H2,1-3H3
InChIKeyMCHQZNKEHPQKGR-UHFFFAOYSA-N
XLogP4.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethoxyphenyl)-2-(2,6-dimethylphenyl)ethanone
CID 115792599
1-(2-bromo-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 61079528
2-(2-bromo-5-methoxyphenyl)-1-(2-bromo-5-methylphenyl)ethanone
CID 114973586
1-(2-bromo-5-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 81110990
2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)ethanone
CID 114973645
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-1-one
CID 83988112
3-(2-bromo-5-methoxyphenyl)-3-oxopropanenitrile
CID 2804251
2-(3-bromo-5-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethanone
CID 105118266
ethyl 2-bromo-5-methoxybenzoate
CID 43389585
1-(2-bromo-5-methoxyphenyl)-2-propan-2-yloxyethanone
CID 105117164
2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-2-methylphenyl)ethanone
CID 107101623
1-(2-bromo-5-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 105086081

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-2-(2,6-dimethylphenyl)ethanone?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-2-(2,6-dimethylphenyl)ethanone (CID 105123568) is 1-(2-bromo-5-methoxyphenyl)-2-(2,6-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-2-(2,6-dimethylphenyl)ethanone?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-2-(2,6-dimethylphenyl)ethanone is COc1ccc(Br)c(C(=O)Cc2c(C)cccc2C)c1.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-2-(2,6-dimethylphenyl)ethanone?
The InChIKey is MCHQZNKEHPQKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO2/c1-11-5-4-6-12(2)14(11)10-17(19)15-9-13(20-3)7-8-16(15)18/h4-9H,10H2,1-3H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-2-(2,6-dimethylphenyl)ethanone?
1-(2-bromo-5-methoxyphenyl)-2-(2,6-dimethylphenyl)ethanone has a molecular weight of 333.23 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-2-(2,6-dimethylphenyl)ethanone is sourced from PubChem (CID 105123568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).