methylsulfonylmethoxymethylbenzene

C9H12O3S — CID 118027529

IUPACmethylsulfonylmethoxymethylbenzene
SMILESCS(=O)(=O)COCc1ccccc1
InChIInChI=1S/C9H12O3S/c1-13(10,11)8-12-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyBNXCWZANAJRDOP-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.21
Rot. Bonds4

About methylsulfonylmethoxymethylbenzene

methylsulfonylmethoxymethylbenzene (PubChem CID 118027529) has the molecular formula C9H12O3S and a molecular weight of 200.26 g/mol. Its IUPAC name is methylsulfonylmethoxymethylbenzene.

Molecular Properties

Compound Namemethylsulfonylmethoxymethylbenzene
PubChem CID118027529
Molecular FormulaC9H12O3S
Molecular Weight200.26 g/mol
Exact Mass200.05
IUPAC Namemethylsulfonylmethoxymethylbenzene
SMILESCS(=O)(=O)COCc1ccccc1
InChIInChI=1S/C9H12O3S/c1-13(10,11)8-12-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyBNXCWZANAJRDOP-UHFFFAOYSA-N
XLogP1.21
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenylmethoxybut-2-enyl methanesulfonate
CID 85381978
(213C)ethoxymethylbenzene
CID 87947851
ethane;phenylmethoxymethylbenzene
CID 90943549
disodium;phenylmethoxymethylbenzene;sulfate
CID 70513406
2-methyl-2-(phenylmethoxymethylsulfonyl)propanoic acid
CID 102939650
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 162089156
2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 118796291
CID 66734377
CID 66734377
acetic acid;phenylmethoxymethylbenzene
CID 175214238
1-ethyl-4-(phenylmethoxymethyl)benzene
CID 123410479
1-methyl-4-(phenylmethoxymethylsulfonyl)piperazine
CID 161252146
2-methyl-3-(phenylmethoxymethylsulfonyl)propanoic acid
CID 102939645

Frequently Asked Questions

What is the IUPAC name of methylsulfonylmethoxymethylbenzene?
The IUPAC name of methylsulfonylmethoxymethylbenzene (CID 118027529) is methylsulfonylmethoxymethylbenzene.
What is the SMILES notation for methylsulfonylmethoxymethylbenzene?
The canonical SMILES for methylsulfonylmethoxymethylbenzene is CS(=O)(=O)COCc1ccccc1.
What is the InChIKey of methylsulfonylmethoxymethylbenzene?
The InChIKey is BNXCWZANAJRDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3S/c1-13(10,11)8-12-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3.
What are the key properties of methylsulfonylmethoxymethylbenzene?
methylsulfonylmethoxymethylbenzene has a molecular weight of 200.26 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfonylmethoxymethylbenzene is sourced from PubChem (CID 118027529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).