(2,5-dimethoxyphenyl)methyl methanesulfonate;ethane

C12H20O5S — CID 90981417

IUPAC(2,5-dimethoxyphenyl)methyl methanesulfonate;ethane
SMILESCC.COc1ccc(OC)c(COS(C)(=O)=O)c1
InChIInChI=1S/C10H14O5S.C2H6/c1-13-9-4-5-10(14-2)8(6-9)7-15-16(3,11)12;1-2/h4-6H,7H2,1-3H3;1-2H3
InChIKeyBJISJKXCGYWIIP-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.21
Rot. Bonds5

About (2,5-dimethoxyphenyl)methyl methanesulfonate;ethane

(2,5-dimethoxyphenyl)methyl methanesulfonate;ethane (PubChem CID 90981417) has the molecular formula C12H20O5S and a molecular weight of 276.35 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)methyl methanesulfonate;ethane.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)methyl methanesulfonate;ethane
PubChem CID90981417
Molecular FormulaC12H20O5S
Molecular Weight276.35 g/mol
Exact Mass276.10
IUPAC Name(2,5-dimethoxyphenyl)methyl methanesulfonate;ethane
SMILESCC.COc1ccc(OC)c(COS(C)(=O)=O)c1
InChIInChI=1S/C10H14O5S.C2H6/c1-13-9-4-5-10(14-2)8(6-9)7-15-16(3,11)12;1-2/h4-6H,7H2,1-3H3;1-2H3
InChIKeyBJISJKXCGYWIIP-UHFFFAOYSA-N
XLogP2.21
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[5-(2-cyanopropan-2-yl)-2-methoxyphenyl]methyl methanesulfonate
CID 118484664
(2,4,6-trimethoxyphenyl)methyl methanesulfonate
CID 102620850
2-(ethoxymethyl)-1,4-dimethoxybenzene
CID 12068886
2-[2-[2-[2-[(2,5-dimethoxyphenyl)methoxy]ethoxy]ethoxy]ethoxymethyl]-1,4-dimethoxybenzene
CID 15109386
(2-chloro-6-methoxyquinolin-3-yl)methyl methanesulfonate
CID 46838693
[4-[(2,4-dimethoxyphenyl)methylsulfamoylmethyl]phenyl]methyl methanesulfonate
CID 86705334
1,4-dimethoxy-2-(nitrosomethyl)benzene
CID 143996904
(2,5-dimethoxyphenyl)methyl 2,2-dimethylpropanoate
CID 10933987
[2-[4-methoxy-3-(methoxymethyl)phenyl]-2-oxoethyl] methanesulfonate
CID 87402975
N-[(2,5-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3678279
(2-fluoro-3-methoxyphenyl)methyl methanesulfonate
CID 59479330
2-(bromomethyl)-4-methoxy-1-(2-methylsulfonylethoxy)benzene
CID 61057805

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)methyl methanesulfonate;ethane?
The IUPAC name of (2,5-dimethoxyphenyl)methyl methanesulfonate;ethane (CID 90981417) is (2,5-dimethoxyphenyl)methyl methanesulfonate;ethane.
What is the SMILES notation for (2,5-dimethoxyphenyl)methyl methanesulfonate;ethane?
The canonical SMILES for (2,5-dimethoxyphenyl)methyl methanesulfonate;ethane is CC.COc1ccc(OC)c(COS(C)(=O)=O)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)methyl methanesulfonate;ethane?
The InChIKey is BJISJKXCGYWIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5S.C2H6/c1-13-9-4-5-10(14-2)8(6-9)7-15-16(3,11)12;1-2/h4-6H,7H2,1-3H3;1-2H3.
What are the key properties of (2,5-dimethoxyphenyl)methyl methanesulfonate;ethane?
(2,5-dimethoxyphenyl)methyl methanesulfonate;ethane has a molecular weight of 276.35 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)methyl methanesulfonate;ethane is sourced from PubChem (CID 90981417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).