2-(2-bromo-5-methoxy-4-methylphenyl)-1,3-dioxolane

C11H13BrO3 — CID 11086922

IUPAC2-(2-bromo-5-methoxy-4-methylphenyl)-1,3-dioxolane
SMILESCOc1cc(C2OCCO2)c(Br)cc1C
InChIInChI=1S/C11H13BrO3/c1-7-5-9(12)8(6-10(7)13-2)11-14-3-4-15-11/h5-6,11H,3-4H2,1-2H3
InChIKeyLDEHBYJPMZFYJO-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.81
Rot. Bonds2

About 2-(2-bromo-5-methoxy-4-methylphenyl)-1,3-dioxolane

2-(2-bromo-5-methoxy-4-methylphenyl)-1,3-dioxolane (PubChem CID 11086922) has the molecular formula C11H13BrO3 and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxy-4-methylphenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(2-bromo-5-methoxy-4-methylphenyl)-1,3-dioxolane
PubChem CID11086922
Molecular FormulaC11H13BrO3
Molecular Weight273.13 g/mol
Exact Mass272.00
IUPAC Name2-(2-bromo-5-methoxy-4-methylphenyl)-1,3-dioxolane
SMILESCOc1cc(C2OCCO2)c(Br)cc1C
InChIInChI=1S/C11H13BrO3/c1-7-5-9(12)8(6-10(7)13-2)11-14-3-4-15-11/h5-6,11H,3-4H2,1-2H3
InChIKeyLDEHBYJPMZFYJO-UHFFFAOYSA-N
XLogP2.81
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-4-methoxy-2,5-dimethylbenzene;hydrobromide
CID 157211395
2-(2-bromo-4,5-dimethoxyphenyl)oxan-3-amine
CID 79365326
2-(5-bromo-2-methoxyphenyl)-1,3-dioxane
CID 14378759
2-(4-methoxy-2,5-dimethylphenyl)oxirane
CID 82074963
5-(2-bromo-5-methoxy-4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 117499266
[2-(2-bromo-4,5-dimethoxyphenyl)oxolan-3-yl]methanol
CID 79372971
[2-bromo-4-(1,3-dioxolan-2-yl)-6-methoxyphenyl] acetate
CID 170874264
4-bromo-3-(1,3-dioxolan-2-yl)phenol;ethane
CID 90901779
2-(2-methoxy-3-methylphenyl)-1,3-dioxolane
CID 122548411
(2-bromo-5-methoxy-4-methylphenyl)boronic acid
CID 171367143
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
2-bromo-5-methoxy-4-methylbenzonitrile
CID 117324664

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxy-4-methylphenyl)-1,3-dioxolane?
The IUPAC name of 2-(2-bromo-5-methoxy-4-methylphenyl)-1,3-dioxolane (CID 11086922) is 2-(2-bromo-5-methoxy-4-methylphenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(2-bromo-5-methoxy-4-methylphenyl)-1,3-dioxolane?
The canonical SMILES for 2-(2-bromo-5-methoxy-4-methylphenyl)-1,3-dioxolane is COc1cc(C2OCCO2)c(Br)cc1C.
What is the InChIKey of 2-(2-bromo-5-methoxy-4-methylphenyl)-1,3-dioxolane?
The InChIKey is LDEHBYJPMZFYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO3/c1-7-5-9(12)8(6-10(7)13-2)11-14-3-4-15-11/h5-6,11H,3-4H2,1-2H3.
What are the key properties of 2-(2-bromo-5-methoxy-4-methylphenyl)-1,3-dioxolane?
2-(2-bromo-5-methoxy-4-methylphenyl)-1,3-dioxolane has a molecular weight of 273.13 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxy-4-methylphenyl)-1,3-dioxolane is sourced from PubChem (CID 11086922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).