1-bromo-3-(bromomethyl)-2-(2-methylsulfonylethoxy)benzene

C10H12Br2O3S — CID 61392210

IUPAC1-bromo-3-(bromomethyl)-2-(2-methylsulfonylethoxy)benzene
SMILESCS(=O)(=O)CCOc1c(Br)cccc1CBr
InChIInChI=1S/C10H12Br2O3S/c1-16(13,14)6-5-15-10-8(7-11)3-2-4-9(10)12/h2-4H,5-7H2,1H3
InChIKeyFVNOSNSWXOQCIF-UHFFFAOYSA-N
MW372.08 g/mol
LogP2.77
Rot. Bonds5

About 1-bromo-3-(bromomethyl)-2-(2-methylsulfonylethoxy)benzene

1-bromo-3-(bromomethyl)-2-(2-methylsulfonylethoxy)benzene (PubChem CID 61392210) has the molecular formula C10H12Br2O3S and a molecular weight of 372.08 g/mol. Its IUPAC name is 1-bromo-3-(bromomethyl)-2-(2-methylsulfonylethoxy)benzene.

Molecular Properties

Compound Name1-bromo-3-(bromomethyl)-2-(2-methylsulfonylethoxy)benzene
PubChem CID61392210
Molecular FormulaC10H12Br2O3S
Molecular Weight372.08 g/mol
Exact Mass369.89
IUPAC Name1-bromo-3-(bromomethyl)-2-(2-methylsulfonylethoxy)benzene
SMILESCS(=O)(=O)CCOc1c(Br)cccc1CBr
InChIInChI=1S/C10H12Br2O3S/c1-16(13,14)6-5-15-10-8(7-11)3-2-4-9(10)12/h2-4H,5-7H2,1H3
InChIKeyFVNOSNSWXOQCIF-UHFFFAOYSA-N
XLogP2.77
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.08
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[3-bromo-2-(2-methylsulfonylethoxy)phenyl]methanamine
CID 61389794
1-[3-bromo-2-(2-methylsulfonylethoxy)phenyl]-N-methylmethanamine
CID 61390154
N-[[3-bromo-2-(2-methylsulfonylethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63059040
1-(chloromethyl)-3-methyl-2-(2-methylsulfonylethoxy)benzene
CID 112613387
1-bromo-3-(bromomethyl)-2-(methoxymethoxy)benzene
CID 65364520
4-[2-bromo-6-(bromomethyl)phenoxy]-2,2-dimethylbutanenitrile
CID 65253195
2-[3-bromo-2-(3-ethylsulfonylpropoxy)phenyl]ethanamine
CID 65095620
2-[2-bromo-6-(bromomethyl)phenoxy]acetonitrile
CID 61392074
1,3-dibromo-5-(bromomethyl)-2-(3-methylsulfonylpropoxy)benzene
CID 107745698
N-[[3-methoxy-2-(2-methylsulfonylethoxy)phenyl]methyl]propan-2-amine
CID 60915922
2-(bromomethyl)-4-methoxy-1-(2-methylsulfonylethoxy)benzene
CID 61057805
1-(bromomethyl)-2-(2-methylsulfonylethoxy)naphthalene
CID 54915025

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(bromomethyl)-2-(2-methylsulfonylethoxy)benzene?
The IUPAC name of 1-bromo-3-(bromomethyl)-2-(2-methylsulfonylethoxy)benzene (CID 61392210) is 1-bromo-3-(bromomethyl)-2-(2-methylsulfonylethoxy)benzene.
What is the SMILES notation for 1-bromo-3-(bromomethyl)-2-(2-methylsulfonylethoxy)benzene?
The canonical SMILES for 1-bromo-3-(bromomethyl)-2-(2-methylsulfonylethoxy)benzene is CS(=O)(=O)CCOc1c(Br)cccc1CBr.
What is the InChIKey of 1-bromo-3-(bromomethyl)-2-(2-methylsulfonylethoxy)benzene?
The InChIKey is FVNOSNSWXOQCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2O3S/c1-16(13,14)6-5-15-10-8(7-11)3-2-4-9(10)12/h2-4H,5-7H2,1H3.
What are the key properties of 1-bromo-3-(bromomethyl)-2-(2-methylsulfonylethoxy)benzene?
1-bromo-3-(bromomethyl)-2-(2-methylsulfonylethoxy)benzene has a molecular weight of 372.08 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(bromomethyl)-2-(2-methylsulfonylethoxy)benzene is sourced from PubChem (CID 61392210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).