1-bromo-4,5-dimethoxy-2-(2-methylpropyl)benzene

C12H17BrO2 — CID 138723532

IUPAC1-bromo-4,5-dimethoxy-2-(2-methylpropyl)benzene
SMILESCOc1cc(Br)c(CC(C)C)cc1OC
InChIInChI=1S/C12H17BrO2/c1-8(2)5-9-6-11(14-3)12(15-4)7-10(9)13/h6-8H,5H2,1-4H3
InChIKeyLMVAFWRETXSVRP-UHFFFAOYSA-N
MW273.17 g/mol
LogP3.66
Rot. Bonds4

About 1-bromo-4,5-dimethoxy-2-(2-methylpropyl)benzene

1-bromo-4,5-dimethoxy-2-(2-methylpropyl)benzene (PubChem CID 138723532) has the molecular formula C12H17BrO2 and a molecular weight of 273.17 g/mol. Its IUPAC name is 1-bromo-4,5-dimethoxy-2-(2-methylpropyl)benzene.

Molecular Properties

Compound Name1-bromo-4,5-dimethoxy-2-(2-methylpropyl)benzene
PubChem CID138723532
Molecular FormulaC12H17BrO2
Molecular Weight273.17 g/mol
Exact Mass272.04
IUPAC Name1-bromo-4,5-dimethoxy-2-(2-methylpropyl)benzene
SMILESCOc1cc(Br)c(CC(C)C)cc1OC
InChIInChI=1S/C12H17BrO2/c1-8(2)5-9-6-11(14-3)12(15-4)7-10(9)13/h6-8H,5H2,1-4H3
InChIKeyLMVAFWRETXSVRP-UHFFFAOYSA-N
XLogP3.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-bromo-4,5-dimethoxyphenyl)propan-2-yl]-3-methyloxirane
CID 83943863
2-bromo-4-methoxy-1-(2-methylpropyl)benzene
CID 59138230
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-methylpentan-2-amine
CID 43775679
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-methylbutan-1-amine
CID 43220432
5-bromo-4-(2-hydroxypropyl)-2-methoxyphenol
CID 117406460
(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)methanamine
CID 16637954
1-(2-bromo-4,5-dimethoxyphenyl)-N,N-dimethylmethanamine
CID 13212596
[(2R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-yl]azanium
CID 25271630
(1R)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-phenylethanamine
CID 78950351
5-(2-bromo-4,5-dimethoxyphenyl)-3-methylpentan-1-amine
CID 65301088
1-bromo-2-(2-iodoethyl)-5-methoxy-4-propan-2-yloxybenzene
CID 16638804
(2-bromo-4,5-dimethoxyphenyl)methyl-trifluoroboranuide
CID 171374056

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4,5-dimethoxy-2-(2-methylpropyl)benzene?
The IUPAC name of 1-bromo-4,5-dimethoxy-2-(2-methylpropyl)benzene (CID 138723532) is 1-bromo-4,5-dimethoxy-2-(2-methylpropyl)benzene.
What is the SMILES notation for 1-bromo-4,5-dimethoxy-2-(2-methylpropyl)benzene?
The canonical SMILES for 1-bromo-4,5-dimethoxy-2-(2-methylpropyl)benzene is COc1cc(Br)c(CC(C)C)cc1OC.
What is the InChIKey of 1-bromo-4,5-dimethoxy-2-(2-methylpropyl)benzene?
The InChIKey is LMVAFWRETXSVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO2/c1-8(2)5-9-6-11(14-3)12(15-4)7-10(9)13/h6-8H,5H2,1-4H3.
What are the key properties of 1-bromo-4,5-dimethoxy-2-(2-methylpropyl)benzene?
1-bromo-4,5-dimethoxy-2-(2-methylpropyl)benzene has a molecular weight of 273.17 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4,5-dimethoxy-2-(2-methylpropyl)benzene is sourced from PubChem (CID 138723532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).