2-bromo-4-methoxy-1-(2-methylsulfonylethoxy)benzene

C10H13BrO4S — CID 104707500

IUPAC2-bromo-4-methoxy-1-(2-methylsulfonylethoxy)benzene
SMILESCOc1ccc(OCCS(C)(=O)=O)c(Br)c1
InChIInChI=1S/C10H13BrO4S/c1-14-8-3-4-10(9(11)7-8)15-5-6-16(2,12)13/h3-4,7H,5-6H2,1-2H3
InChIKeyGNTKZCXCUAKFCP-UHFFFAOYSA-N
MW309.18 g/mol
LogP1.88
Rot. Bonds5

About 2-bromo-4-methoxy-1-(2-methylsulfonylethoxy)benzene

2-bromo-4-methoxy-1-(2-methylsulfonylethoxy)benzene (PubChem CID 104707500) has the molecular formula C10H13BrO4S and a molecular weight of 309.18 g/mol. Its IUPAC name is 2-bromo-4-methoxy-1-(2-methylsulfonylethoxy)benzene.

Molecular Properties

Compound Name2-bromo-4-methoxy-1-(2-methylsulfonylethoxy)benzene
PubChem CID104707500
Molecular FormulaC10H13BrO4S
Molecular Weight309.18 g/mol
Exact Mass307.97
IUPAC Name2-bromo-4-methoxy-1-(2-methylsulfonylethoxy)benzene
SMILESCOc1ccc(OCCS(C)(=O)=O)c(Br)c1
InChIInChI=1S/C10H13BrO4S/c1-14-8-3-4-10(9(11)7-8)15-5-6-16(2,12)13/h3-4,7H,5-6H2,1-2H3
InChIKeyGNTKZCXCUAKFCP-UHFFFAOYSA-N
XLogP1.88
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4-methoxyphenoxy)ethanesulfonamide
CID 104708667
2-(bromomethyl)-4-methoxy-1-(2-methylsulfonylethoxy)benzene
CID 61057805
[5-methoxy-2-(2-methylsulfonylethoxy)phenyl]methanol
CID 60915794
2-bromo-4-(chloromethyl)-1-(2-methylsulfonylethoxy)benzene
CID 63051476
5-(2-bromo-4-methoxyphenoxy)-3-methylpentane-1-sulfonamide
CID 104708673
4-(2-bromo-4-methoxyphenoxy)butan-2-one
CID 104708081
N-[[3-bromo-4-(2-methylsulfonylethoxy)phenyl]methyl]propan-2-amine
CID 63045692
2-methoxy-4-methyl-1-(2-methylsulfonylethoxy)benzene
CID 58551430
4-(bromomethyl)-1-methoxy-2-(2-methylsulfonylethoxy)benzene
CID 54914887
2-bromo-1-(2-cyclopropylethoxy)-4-methoxybenzene
CID 104707383
2-bromo-4-methoxy-1-(4,4,4-trifluorobutoxy)benzene
CID 113443609
2-[2-(2-bromo-4-methoxyphenoxy)ethyl]aniline
CID 104706778

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methoxy-1-(2-methylsulfonylethoxy)benzene?
The IUPAC name of 2-bromo-4-methoxy-1-(2-methylsulfonylethoxy)benzene (CID 104707500) is 2-bromo-4-methoxy-1-(2-methylsulfonylethoxy)benzene.
What is the SMILES notation for 2-bromo-4-methoxy-1-(2-methylsulfonylethoxy)benzene?
The canonical SMILES for 2-bromo-4-methoxy-1-(2-methylsulfonylethoxy)benzene is COc1ccc(OCCS(C)(=O)=O)c(Br)c1.
What is the InChIKey of 2-bromo-4-methoxy-1-(2-methylsulfonylethoxy)benzene?
The InChIKey is GNTKZCXCUAKFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO4S/c1-14-8-3-4-10(9(11)7-8)15-5-6-16(2,12)13/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 2-bromo-4-methoxy-1-(2-methylsulfonylethoxy)benzene?
2-bromo-4-methoxy-1-(2-methylsulfonylethoxy)benzene has a molecular weight of 309.18 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methoxy-1-(2-methylsulfonylethoxy)benzene is sourced from PubChem (CID 104707500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).