1-(2-methoxyethoxy)-4-methyl-2-methylsulfonylbenzene

C11H16O4S — CID 58551231

IUPAC1-(2-methoxyethoxy)-4-methyl-2-methylsulfonylbenzene
SMILESCOCCOc1ccc(C)cc1S(C)(=O)=O
InChIInChI=1S/C11H16O4S/c1-9-4-5-10(15-7-6-14-2)11(8-9)16(3,12)13/h4-5,8H,6-7H2,1-3H3
InChIKeyFERBRMXDZMKMOQ-UHFFFAOYSA-N
MW244.31 g/mol
LogP1.42
Rot. Bonds5

About 1-(2-methoxyethoxy)-4-methyl-2-methylsulfonylbenzene

1-(2-methoxyethoxy)-4-methyl-2-methylsulfonylbenzene (PubChem CID 58551231) has the molecular formula C11H16O4S and a molecular weight of 244.31 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-4-methyl-2-methylsulfonylbenzene.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-4-methyl-2-methylsulfonylbenzene
PubChem CID58551231
Molecular FormulaC11H16O4S
Molecular Weight244.31 g/mol
Exact Mass244.08
IUPAC Name1-(2-methoxyethoxy)-4-methyl-2-methylsulfonylbenzene
SMILESCOCCOc1ccc(C)cc1S(C)(=O)=O
InChIInChI=1S/C11H16O4S/c1-9-4-5-10(15-7-6-14-2)11(8-9)16(3,12)13/h4-5,8H,6-7H2,1-3H3
InChIKeyFERBRMXDZMKMOQ-UHFFFAOYSA-N
XLogP1.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(2-methoxyethoxy)-4-methylbenzenesulfonate
CID 87667048
2-(2-methoxyethoxy)-5-methylphenol
CID 89108915
2-(2-ethoxyethoxy)-5-methylbenzenesulfonamide
CID 43457343
2-chloro-1,3-bis(2-methoxyethoxy)-4-methylsulfonylbenzene
CID 22011430
1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene
CID 64764967
1-bromo-N-[2-(2-methoxyethoxy)-4-methylphenyl]methanesulfonamide
CID 83085433
2-methoxy-4-methyl-1-methylsulfonylbenzene
CID 23546847
5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethoxy]benzenesulfonamide
CID 61490332
5-(4-methyl-2-sulfamoylphenoxy)pentanoic acid
CID 43342428
2-(2-methoxyethoxy)-5-methylsulfonylbenzoic acid
CID 23503119
2-heptoxy-5-methylbenzenesulfonyl chloride
CID 43129113
2-[2-(2-methoxyethoxy)-5-methylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 79662747

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-4-methyl-2-methylsulfonylbenzene?
The IUPAC name of 1-(2-methoxyethoxy)-4-methyl-2-methylsulfonylbenzene (CID 58551231) is 1-(2-methoxyethoxy)-4-methyl-2-methylsulfonylbenzene.
What is the SMILES notation for 1-(2-methoxyethoxy)-4-methyl-2-methylsulfonylbenzene?
The canonical SMILES for 1-(2-methoxyethoxy)-4-methyl-2-methylsulfonylbenzene is COCCOc1ccc(C)cc1S(C)(=O)=O.
What is the InChIKey of 1-(2-methoxyethoxy)-4-methyl-2-methylsulfonylbenzene?
The InChIKey is FERBRMXDZMKMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4S/c1-9-4-5-10(15-7-6-14-2)11(8-9)16(3,12)13/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 1-(2-methoxyethoxy)-4-methyl-2-methylsulfonylbenzene?
1-(2-methoxyethoxy)-4-methyl-2-methylsulfonylbenzene has a molecular weight of 244.31 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-4-methyl-2-methylsulfonylbenzene is sourced from PubChem (CID 58551231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).