2-(3-methoxysulfonyloxyphenoxy)ethyl methanesulfonate

C10H14O8S2 — CID 142737119

IUPAC2-(3-methoxysulfonyloxyphenoxy)ethyl methanesulfonate
SMILESCOS(=O)(=O)Oc1cccc(OCCOS(C)(=O)=O)c1
InChIInChI=1S/C10H14O8S2/c1-15-20(13,14)18-10-5-3-4-9(8-10)16-6-7-17-19(2,11)12/h3-5,8H,6-7H2,1-2H3
InChIKeySKORPYDQFCPDKP-UHFFFAOYSA-N
MW326.35 g/mol
LogP0.31
Rot. Bonds8

About 2-(3-methoxysulfonyloxyphenoxy)ethyl methanesulfonate

2-(3-methoxysulfonyloxyphenoxy)ethyl methanesulfonate (PubChem CID 142737119) has the molecular formula C10H14O8S2 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-(3-methoxysulfonyloxyphenoxy)ethyl methanesulfonate.

Molecular Properties

Compound Name2-(3-methoxysulfonyloxyphenoxy)ethyl methanesulfonate
PubChem CID142737119
Molecular FormulaC10H14O8S2
Molecular Weight326.35 g/mol
Exact Mass326.01
IUPAC Name2-(3-methoxysulfonyloxyphenoxy)ethyl methanesulfonate
SMILESCOS(=O)(=O)Oc1cccc(OCCOS(C)(=O)=O)c1
InChIInChI=1S/C10H14O8S2/c1-15-20(13,14)18-10-5-3-4-9(8-10)16-6-7-17-19(2,11)12/h3-5,8H,6-7H2,1-2H3
InChIKeySKORPYDQFCPDKP-UHFFFAOYSA-N
XLogP0.31
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(pyridin-3-ylmethoxy)phenoxy]ethyl methanesulfonate
CID 142737103
2-(3,4-dichlorophenoxy)ethyl methanesulfonate
CID 150853890
2-[3-(3-phenylpropoxy)phenyl]ethyl methanesulfonate
CID 166852180
(3-methylsulfonyloxyphenyl)methyl methanesulfonate
CID 59304405
1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2263044
3-(3-methoxyphenyl)sulfanylpropyl methanesulfonate
CID 102166048
1-fluoro-3-[2-(3-methylsulfonylphenoxy)ethoxy]benzene
CID 52619425
2-(2-methylsulfonylphenoxy)ethyl methanesulfonate
CID 121418636
2-[3,5-bis[2-(4-methylphenyl)sulfonyloxyethoxy]phenoxy]ethyl 4-methylbenzenesulfonate
CID 10723571
2-(2-ethylphenoxy)ethyl methanesulfonate
CID 19809138
2-[3-(3-methylsulfonyloxypropyl)phenoxy]acetic acid
CID 87488256
1-chloro-3-[2-(4-methylsulfonylphenoxy)ethoxy]benzene
CID 51191187

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxysulfonyloxyphenoxy)ethyl methanesulfonate?
The IUPAC name of 2-(3-methoxysulfonyloxyphenoxy)ethyl methanesulfonate (CID 142737119) is 2-(3-methoxysulfonyloxyphenoxy)ethyl methanesulfonate.
What is the SMILES notation for 2-(3-methoxysulfonyloxyphenoxy)ethyl methanesulfonate?
The canonical SMILES for 2-(3-methoxysulfonyloxyphenoxy)ethyl methanesulfonate is COS(=O)(=O)Oc1cccc(OCCOS(C)(=O)=O)c1.
What is the InChIKey of 2-(3-methoxysulfonyloxyphenoxy)ethyl methanesulfonate?
The InChIKey is SKORPYDQFCPDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O8S2/c1-15-20(13,14)18-10-5-3-4-9(8-10)16-6-7-17-19(2,11)12/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 2-(3-methoxysulfonyloxyphenoxy)ethyl methanesulfonate?
2-(3-methoxysulfonyloxyphenoxy)ethyl methanesulfonate has a molecular weight of 326.35 g/mol, XLogP of 0.31, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxysulfonyloxyphenoxy)ethyl methanesulfonate is sourced from PubChem (CID 142737119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).