1-bromo-3,4-dimethoxy-2-methylbenzene

C9H11BrO2 — CID 825971

IUPAC1-bromo-3,4-dimethoxy-2-methylbenzene
SMILESCOc1ccc(Br)c(C)c1OC
InChIInChI=1S/C9H11BrO2/c1-6-7(10)4-5-8(11-2)9(6)12-3/h4-5H,1-3H3
InChIKeyJDIYVHQIOHSCQG-UHFFFAOYSA-N
MW231.09 g/mol
LogP2.77
Rot. Bonds2

About 1-bromo-3,4-dimethoxy-2-methylbenzene

1-bromo-3,4-dimethoxy-2-methylbenzene (PubChem CID 825971) has the molecular formula C9H11BrO2 and a molecular weight of 231.09 g/mol. Its IUPAC name is 1-bromo-3,4-dimethoxy-2-methylbenzene.

Molecular Properties

Compound Name1-bromo-3,4-dimethoxy-2-methylbenzene
PubChem CID825971
Molecular FormulaC9H11BrO2
Molecular Weight231.09 g/mol
Exact Mass229.99
IUPAC Name1-bromo-3,4-dimethoxy-2-methylbenzene
SMILESCOc1ccc(Br)c(C)c1OC
InChIInChI=1S/C9H11BrO2/c1-6-7(10)4-5-8(11-2)9(6)12-3/h4-5H,1-3H3
InChIKeyJDIYVHQIOHSCQG-UHFFFAOYSA-N
XLogP2.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzene, 4-bromo-1,2-dimethoxy-
CID 76114
1-Bromo-4-methoxy-2-methylbenzene
CID 117915
3-Methylveratrole
CID 78215
4-Bromo-2-(hydroxymethyl)-6-methoxyphenol
CID 894092
3-(2-Bromo-4,5-dimethoxyphenyl)propanenitrile
CID 320411
2-Bromo-4,5-dimethoxybenzonitrile
CID 4296227
(2-Bromo-4,5-dimethoxyphenyl)methanol
CID 618887
1-Bromo-4-methoxy-2,5-dimethylbenzene
CID 2752598
4-Bromo-2,3-dimethylanisole
CID 2752599
2-Bromo-5-methoxybenzyl bromide
CID 3525951
1-(Benzyloxy)-4-bromo-2-methoxybenzene
CID 3613128
1,1'-Biphenyl, 2,2'-dibromo-4,4',5,5'-tetramethoxy-
CID 5063692

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3,4-dimethoxy-2-methylbenzene?
The IUPAC name of 1-bromo-3,4-dimethoxy-2-methylbenzene (CID 825971) is 1-bromo-3,4-dimethoxy-2-methylbenzene.
What is the SMILES notation for 1-bromo-3,4-dimethoxy-2-methylbenzene?
The canonical SMILES for 1-bromo-3,4-dimethoxy-2-methylbenzene is COc1ccc(Br)c(C)c1OC.
What is the InChIKey of 1-bromo-3,4-dimethoxy-2-methylbenzene?
The InChIKey is JDIYVHQIOHSCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO2/c1-6-7(10)4-5-8(11-2)9(6)12-3/h4-5H,1-3H3.
What are the key properties of 1-bromo-3,4-dimethoxy-2-methylbenzene?
1-bromo-3,4-dimethoxy-2-methylbenzene has a molecular weight of 231.09 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3,4-dimethoxy-2-methylbenzene is sourced from PubChem (CID 825971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).