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

C12H15BrO2 — CID 117430448

IUPAC1-(6-bromo-3-methoxy-2,4-dimethylphenyl)propan-2-one
SMILESCOc1c(C)cc(Br)c(CC(C)=O)c1C
InChIInChI=1S/C12H15BrO2/c1-7-5-11(13)10(6-8(2)14)9(3)12(7)15-4/h5H,6H2,1-4H3
InChIKeyDSBKLYOGAUMNQI-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.21
Rot. Bonds3

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

1-(6-bromo-3-methoxy-2,4-dimethylphenyl)propan-2-one (PubChem CID 117430448) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is 1-(6-bromo-3-methoxy-2,4-dimethylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(6-bromo-3-methoxy-2,4-dimethylphenyl)propan-2-one
PubChem CID117430448
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name1-(6-bromo-3-methoxy-2,4-dimethylphenyl)propan-2-one
SMILESCOc1c(C)cc(Br)c(CC(C)=O)c1C
InChIInChI=1S/C12H15BrO2/c1-7-5-11(13)10(6-8(2)14)9(3)12(7)15-4/h5H,6H2,1-4H3
InChIKeyDSBKLYOGAUMNQI-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2,3-dimethoxy-4,6-dimethylphenyl)propan-2-one
CID 117485028
1-(5-bromo-2-hydroxy-3-methoxy-6-methylphenyl)propan-2-one
CID 84713496
1-(3-bromo-2-hydroxy-5,6-dimethoxyphenyl)propan-2-one
CID 117466719
1-(3-bromo-2,5-dimethoxyphenyl)propan-2-one
CID 83903980
3-(5-bromo-2-methoxy-3,6-dimethylphenyl)propanoic acid
CID 84814002
1-(4-bromo-6-fluoro-2-hydroxy-3-methoxyphenyl)propan-2-one
CID 84714597
2-(6-chloro-3-methoxy-2,4-dimethylphenyl)acetic acid
CID 117329552
methyl 5-bromo-2-methoxy-3,6-dimethylbenzoate
CID 50883037
1-(2-fluoro-3,4-dimethoxy-5-methylphenyl)propan-2-one
CID 117325240
1-(5-chloro-3-hydroxy-2-methoxy-6-methylphenyl)propan-2-one
CID 117329472
2-(6-bromo-3-methoxy-2,4-dimethylphenyl)propanoic acid
CID 117463086
1-(2-bromo-6-hydroxy-4-methylphenyl)propan-2-one
CID 84801898

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-3-methoxy-2,4-dimethylphenyl)propan-2-one?
The IUPAC name of 1-(6-bromo-3-methoxy-2,4-dimethylphenyl)propan-2-one (CID 117430448) is 1-(6-bromo-3-methoxy-2,4-dimethylphenyl)propan-2-one.
What is the SMILES notation for 1-(6-bromo-3-methoxy-2,4-dimethylphenyl)propan-2-one?
The canonical SMILES for 1-(6-bromo-3-methoxy-2,4-dimethylphenyl)propan-2-one is COc1c(C)cc(Br)c(CC(C)=O)c1C.
What is the InChIKey of 1-(6-bromo-3-methoxy-2,4-dimethylphenyl)propan-2-one?
The InChIKey is DSBKLYOGAUMNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO2/c1-7-5-11(13)10(6-8(2)14)9(3)12(7)15-4/h5H,6H2,1-4H3.
What are the key properties of 1-(6-bromo-3-methoxy-2,4-dimethylphenyl)propan-2-one?
1-(6-bromo-3-methoxy-2,4-dimethylphenyl)propan-2-one has a molecular weight of 271.15 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-3-methoxy-2,4-dimethylphenyl)propan-2-one is sourced from PubChem (CID 117430448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).