1-(3-bromo-2,5-dimethoxyphenyl)propan-2-one

C11H13BrO3 — CID 83903980

IUPAC1-(3-bromo-2,5-dimethoxyphenyl)propan-2-one
SMILESCOc1cc(Br)c(OC)c(CC(C)=O)c1
InChIInChI=1S/C11H13BrO3/c1-7(13)4-8-5-9(14-2)6-10(12)11(8)15-3/h5-6H,4H2,1-3H3
InChIKeySQQXCXJYKCXEDG-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.60
Rot. Bonds4

About 1-(3-bromo-2,5-dimethoxyphenyl)propan-2-one

1-(3-bromo-2,5-dimethoxyphenyl)propan-2-one (PubChem CID 83903980) has the molecular formula C11H13BrO3 and a molecular weight of 273.13 g/mol. Its IUPAC name is 1-(3-bromo-2,5-dimethoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-(3-bromo-2,5-dimethoxyphenyl)propan-2-one
PubChem CID83903980
Molecular FormulaC11H13BrO3
Molecular Weight273.13 g/mol
Exact Mass272.00
IUPAC Name1-(3-bromo-2,5-dimethoxyphenyl)propan-2-one
SMILESCOc1cc(Br)c(OC)c(CC(C)=O)c1
InChIInChI=1S/C11H13BrO3/c1-7(13)4-8-5-9(14-2)6-10(12)11(8)15-3/h5-6H,4H2,1-3H3
InChIKeySQQXCXJYKCXEDG-UHFFFAOYSA-N
XLogP2.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromo-2,5-dimethoxyphenyl)propanal
CID 117434967
1-(2-hydroxy-5-methoxy-3-methylphenyl)propan-2-one
CID 84665339
1-bromo-3-(isocyanatomethyl)-2,5-dimethoxybenzene
CID 117432561
1-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)propan-2-one
CID 117454974
1-(2-fluoro-3-hydroxy-5-methoxyphenyl)propan-2-one
CID 117287584
1-(3-bromo-2,5-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117465340
1-(3-chloro-2-hydroxy-5-methoxyphenyl)propan-2-one
CID 83886474
1-(3-bromo-2-hydroxy-5,6-dimethoxyphenyl)propan-2-one
CID 117466719
1-(4-bromo-6-fluoro-2-hydroxy-3-methoxyphenyl)propan-2-one
CID 84714597
1-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)propan-2-one
CID 117345137
1-(6-bromo-3-methoxy-2,4-dimethylphenyl)propan-2-one
CID 117430448
1-[3-methoxy-5-(methoxymethyl)phenyl]propan-2-one
CID 117297433

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,5-dimethoxyphenyl)propan-2-one?
The IUPAC name of 1-(3-bromo-2,5-dimethoxyphenyl)propan-2-one (CID 83903980) is 1-(3-bromo-2,5-dimethoxyphenyl)propan-2-one.
What is the SMILES notation for 1-(3-bromo-2,5-dimethoxyphenyl)propan-2-one?
The canonical SMILES for 1-(3-bromo-2,5-dimethoxyphenyl)propan-2-one is COc1cc(Br)c(OC)c(CC(C)=O)c1.
What is the InChIKey of 1-(3-bromo-2,5-dimethoxyphenyl)propan-2-one?
The InChIKey is SQQXCXJYKCXEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO3/c1-7(13)4-8-5-9(14-2)6-10(12)11(8)15-3/h5-6H,4H2,1-3H3.
What are the key properties of 1-(3-bromo-2,5-dimethoxyphenyl)propan-2-one?
1-(3-bromo-2,5-dimethoxyphenyl)propan-2-one has a molecular weight of 273.13 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,5-dimethoxyphenyl)propan-2-one is sourced from PubChem (CID 83903980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).