methyl 2-methoxy-5-methylsulfinylbenzoate

C10H12O4S — CID 18464431

IUPACmethyl 2-methoxy-5-methylsulfinylbenzoate
SMILESCOC(=O)c1cc(S(C)=O)ccc1OC
InChIInChI=1S/C10H12O4S/c1-13-9-5-4-7(15(3)12)6-8(9)10(11)14-2/h4-6H,1-3H3
InChIKeyLFXKKXMVRONYFU-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.22
Rot. Bonds3

About methyl 2-methoxy-5-methylsulfinylbenzoate

methyl 2-methoxy-5-methylsulfinylbenzoate (PubChem CID 18464431) has the molecular formula C10H12O4S and a molecular weight of 228.27 g/mol. Its IUPAC name is methyl 2-methoxy-5-methylsulfinylbenzoate.

Molecular Properties

Compound Namemethyl 2-methoxy-5-methylsulfinylbenzoate
PubChem CID18464431
Molecular FormulaC10H12O4S
Molecular Weight228.27 g/mol
Exact Mass228.05
IUPAC Namemethyl 2-methoxy-5-methylsulfinylbenzoate
SMILESCOC(=O)c1cc(S(C)=O)ccc1OC
InChIInChI=1S/C10H12O4S/c1-13-9-5-4-7(15(3)12)6-8(9)10(11)14-2/h4-6H,1-3H3
InChIKeyLFXKKXMVRONYFU-UHFFFAOYSA-N
XLogP1.22
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-methoxycarbonylbenzenesulfinic acid
CID 165455471
ethane;methyl 2-methoxy-5-(4-methylphenyl)benzoate
CID 143170462
methyl 2-methoxy-5-[(E)-2-phenylethenyl]benzoate
CID 155479645
3-carbamoyl-4-methoxybenzenesulfinic acid
CID 130538060
methyl 3-methylsulfinylnaphthalene-1-carboxylate
CID 22622393
methyl 3-acetyl-4-methoxybenzoate
CID 10798398
methyl 5-chlorosulfonyl-2-methoxybenzoate
CID 43436733
methyl 2-methoxy-5-[(4-methoxy-3-methoxycarbonylphenyl)methylselanylmethyl]benzoate
CID 58884067
methyl 5-(3-acetamido-3-oxoprop-1-enyl)-2-methoxybenzoate
CID 175374522
methyl 5-(aminooxymethyl)-2-methoxybenzoate
CID 59478628
methyl 2-methoxy-5-[(E)-methoxyiminomethyl]benzoate
CID 90187627
methyl 2-methoxy-5-phenoxybenzoate
CID 82552164

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-5-methylsulfinylbenzoate?
The IUPAC name of methyl 2-methoxy-5-methylsulfinylbenzoate (CID 18464431) is methyl 2-methoxy-5-methylsulfinylbenzoate.
What is the SMILES notation for methyl 2-methoxy-5-methylsulfinylbenzoate?
The canonical SMILES for methyl 2-methoxy-5-methylsulfinylbenzoate is COC(=O)c1cc(S(C)=O)ccc1OC.
What is the InChIKey of methyl 2-methoxy-5-methylsulfinylbenzoate?
The InChIKey is LFXKKXMVRONYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4S/c1-13-9-5-4-7(15(3)12)6-8(9)10(11)14-2/h4-6H,1-3H3.
What are the key properties of methyl 2-methoxy-5-methylsulfinylbenzoate?
methyl 2-methoxy-5-methylsulfinylbenzoate has a molecular weight of 228.27 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-5-methylsulfinylbenzoate is sourced from PubChem (CID 18464431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).