methyl 2-methoxy-5-methylsulfonylbenzoate

C10H12O5S — CID 6454622

IUPACmethyl 2-methoxy-5-methylsulfonylbenzoate
SMILESCOC(=O)c1cc(S(C)(=O)=O)ccc1OC
InChIInChI=1S/C10H12O5S/c1-14-9-5-4-7(16(3,12)13)6-8(9)10(11)15-2/h4-6H,1-3H3
InChIKeyDSRPTFIZJVCPPS-UHFFFAOYSA-N
MW244.27 g/mol
LogP0.89
Rot. Bonds3

About methyl 2-methoxy-5-methylsulfonylbenzoate

methyl 2-methoxy-5-methylsulfonylbenzoate (PubChem CID 6454622) has the molecular formula C10H12O5S and a molecular weight of 244.27 g/mol. Its IUPAC name is methyl 2-methoxy-5-methylsulfonylbenzoate.

Molecular Properties

Compound Namemethyl 2-methoxy-5-methylsulfonylbenzoate
PubChem CID6454622
Molecular FormulaC10H12O5S
Molecular Weight244.27 g/mol
Exact Mass244.04
IUPAC Namemethyl 2-methoxy-5-methylsulfonylbenzoate
SMILESCOC(=O)c1cc(S(C)(=O)=O)ccc1OC
InChIInChI=1S/C10H12O5S/c1-14-9-5-4-7(16(3,12)13)6-8(9)10(11)15-2/h4-6H,1-3H3
InChIKeyDSRPTFIZJVCPPS-UHFFFAOYSA-N
XLogP0.89
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-5-methylsulfonylbenzoate?
The IUPAC name of methyl 2-methoxy-5-methylsulfonylbenzoate (CID 6454622) is methyl 2-methoxy-5-methylsulfonylbenzoate.
What is the SMILES notation for methyl 2-methoxy-5-methylsulfonylbenzoate?
The canonical SMILES for methyl 2-methoxy-5-methylsulfonylbenzoate is COC(=O)c1cc(S(C)(=O)=O)ccc1OC.
What is the InChIKey of methyl 2-methoxy-5-methylsulfonylbenzoate?
The InChIKey is DSRPTFIZJVCPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5S/c1-14-9-5-4-7(16(3,12)13)6-8(9)10(11)15-2/h4-6H,1-3H3.
What are the key properties of methyl 2-methoxy-5-methylsulfonylbenzoate?
methyl 2-methoxy-5-methylsulfonylbenzoate has a molecular weight of 244.27 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-5-methylsulfonylbenzoate is sourced from PubChem (CID 6454622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).