2-(2-ethylphenoxy)ethyl methanesulfonate

C11H16O4S — CID 19809138

IUPAC2-(2-ethylphenoxy)ethyl methanesulfonate
SMILESCCc1ccccc1OCCOS(C)(=O)=O
InChIInChI=1S/C11H16O4S/c1-3-10-6-4-5-7-11(10)14-8-9-15-16(2,12)13/h4-7H,3,8-9H2,1-2H3
InChIKeyWQBKWXNMBIIORM-UHFFFAOYSA-N
MW244.31 g/mol
LogP1.60
Rot. Bonds6

About 2-(2-ethylphenoxy)ethyl methanesulfonate

2-(2-ethylphenoxy)ethyl methanesulfonate (PubChem CID 19809138) has the molecular formula C11H16O4S and a molecular weight of 244.31 g/mol. Its IUPAC name is 2-(2-ethylphenoxy)ethyl methanesulfonate.

Molecular Properties

Compound Name2-(2-ethylphenoxy)ethyl methanesulfonate
PubChem CID19809138
Molecular FormulaC11H16O4S
Molecular Weight244.31 g/mol
Exact Mass244.08
IUPAC Name2-(2-ethylphenoxy)ethyl methanesulfonate
SMILESCCc1ccccc1OCCOS(C)(=O)=O
InChIInChI=1S/C11H16O4S/c1-3-10-6-4-5-7-11(10)14-8-9-15-16(2,12)13/h4-7H,3,8-9H2,1-2H3
InChIKeyWQBKWXNMBIIORM-UHFFFAOYSA-N
XLogP1.60
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze 2-(2-ethylphenoxy)ethyl methanesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methylsulfonylphenoxy)ethyl methanesulfonate
CID 121418636
3-(2-ethoxyphenyl)propyl methanesulfonate
CID 19688465
(2-hexoxyphenyl)methyl methanesulfonate
CID 90319134
2-[2-(3-phenylpropoxy)phenyl]ethyl methanesulfonate
CID 166852203
1-ethyl-2-(2-propylsulfonylethoxy)benzene
CID 106732626
1-(2-chloroethoxy)-2-ethylbenzene
CID 43173826
ethane;1-ethyl-2-(2-fluoroethoxy)benzene
CID 170716854
1-(3-bromopropoxy)-2-ethylbenzene
CID 43364278
1-ethyl-2-heptoxybenzene
CID 22723794
2-[4-(2-methylsulfonyloxyethoxy)phenoxy]ethyl methanesulfonate
CID 11121773
2-(2-ethylphenoxy)-N-methylethanamine;hydrochloride
CID 44665206
5-(2-ethylphenoxy)pentan-1-ol
CID 62228052

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenoxy)ethyl methanesulfonate?
The IUPAC name of 2-(2-ethylphenoxy)ethyl methanesulfonate (CID 19809138) is 2-(2-ethylphenoxy)ethyl methanesulfonate.
What is the SMILES notation for 2-(2-ethylphenoxy)ethyl methanesulfonate?
The canonical SMILES for 2-(2-ethylphenoxy)ethyl methanesulfonate is CCc1ccccc1OCCOS(C)(=O)=O.
What is the InChIKey of 2-(2-ethylphenoxy)ethyl methanesulfonate?
The InChIKey is WQBKWXNMBIIORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4S/c1-3-10-6-4-5-7-11(10)14-8-9-15-16(2,12)13/h4-7H,3,8-9H2,1-2H3.
What are the key properties of 2-(2-ethylphenoxy)ethyl methanesulfonate?
2-(2-ethylphenoxy)ethyl methanesulfonate has a molecular weight of 244.31 g/mol, XLogP of 1.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenoxy)ethyl methanesulfonate is sourced from PubChem (CID 19809138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).