1-(5-bromo-2-methoxy-4-methylphenyl)-2-methylpropan-1-one

C12H15BrO2 — CID 65439526

IUPAC1-(5-bromo-2-methoxy-4-methylphenyl)-2-methylpropan-1-one
SMILESCOc1cc(C)c(Br)cc1C(=O)C(C)C
InChIInChI=1S/C12H15BrO2/c1-7(2)12(14)9-6-10(13)8(3)5-11(9)15-4/h5-7H,1-4H3
InChIKeyHRKIMCPBCSTNGM-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.60
Rot. Bonds3

About 1-(5-bromo-2-methoxy-4-methylphenyl)-2-methylpropan-1-one

1-(5-bromo-2-methoxy-4-methylphenyl)-2-methylpropan-1-one (PubChem CID 65439526) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxy-4-methylphenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(5-bromo-2-methoxy-4-methylphenyl)-2-methylpropan-1-one
PubChem CID65439526
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name1-(5-bromo-2-methoxy-4-methylphenyl)-2-methylpropan-1-one
SMILESCOc1cc(C)c(Br)cc1C(=O)C(C)C
InChIInChI=1S/C12H15BrO2/c1-7(2)12(14)9-6-10(13)8(3)5-11(9)15-4/h5-7H,1-4H3
InChIKeyHRKIMCPBCSTNGM-UHFFFAOYSA-N
XLogP3.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-1-(5-bromo-2-methoxy-4-methylphenyl)butan-1-one
CID 65439724
1-(5-bromo-2-methoxy-4-methylphenyl)-2-methylpentan-1-one
CID 65439340
2-bromo-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one
CID 12937025
1-(5-bromo-2-methoxy-4-methylphenyl)-2,2-dimethylpropan-1-one
CID 65438555
1-(5-bromo-2-methoxy-4-methylphenyl)-2-chloroethanone
CID 65439722
1-(5-bromo-2,4-dimethoxyphenyl)-2-chloropropan-1-one
CID 82050583
2-bromo-1-(5-chloro-2-methoxy-4-methylphenyl)propan-1-one
CID 82489786
(5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanone
CID 65439137
(5-bromo-2-methoxy-4-methylphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79981857
1-(2-methoxy-4,5-dimethylphenyl)-3-methylbutane-1,2-dione
CID 82129212
2-bromo-3-chloro-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one
CID 82124813
(5-bromo-2-methoxy-4-methylphenyl)-(3-methoxythiophen-2-yl)methanone
CID 81127883

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxy-4-methylphenyl)-2-methylpropan-1-one?
The IUPAC name of 1-(5-bromo-2-methoxy-4-methylphenyl)-2-methylpropan-1-one (CID 65439526) is 1-(5-bromo-2-methoxy-4-methylphenyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(5-bromo-2-methoxy-4-methylphenyl)-2-methylpropan-1-one?
The canonical SMILES for 1-(5-bromo-2-methoxy-4-methylphenyl)-2-methylpropan-1-one is COc1cc(C)c(Br)cc1C(=O)C(C)C.
What is the InChIKey of 1-(5-bromo-2-methoxy-4-methylphenyl)-2-methylpropan-1-one?
The InChIKey is HRKIMCPBCSTNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO2/c1-7(2)12(14)9-6-10(13)8(3)5-11(9)15-4/h5-7H,1-4H3.
What are the key properties of 1-(5-bromo-2-methoxy-4-methylphenyl)-2-methylpropan-1-one?
1-(5-bromo-2-methoxy-4-methylphenyl)-2-methylpropan-1-one has a molecular weight of 271.15 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxy-4-methylphenyl)-2-methylpropan-1-one is sourced from PubChem (CID 65439526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).