methyl 2-[2-(2-methoxyethylsulfinylmethyl)phenyl]acetate

C13H18O4S — CID 113314708

IUPACmethyl 2-[2-(2-methoxyethylsulfinylmethyl)phenyl]acetate
SMILESCOCCS(=O)Cc1ccccc1CC(=O)OC
InChIInChI=1S/C13H18O4S/c1-16-7-8-18(15)10-12-6-4-3-5-11(12)9-13(14)17-2/h3-6H,7-10H2,1-2H3
InChIKeyMSCOJHQXWSZNNM-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.30
Rot. Bonds7

About methyl 2-[2-(2-methoxyethylsulfinylmethyl)phenyl]acetate

methyl 2-[2-(2-methoxyethylsulfinylmethyl)phenyl]acetate (PubChem CID 113314708) has the molecular formula C13H18O4S and a molecular weight of 270.35 g/mol. Its IUPAC name is methyl 2-[2-(2-methoxyethylsulfinylmethyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(2-methoxyethylsulfinylmethyl)phenyl]acetate
PubChem CID113314708
Molecular FormulaC13H18O4S
Molecular Weight270.35 g/mol
Exact Mass270.09
IUPAC Namemethyl 2-[2-(2-methoxyethylsulfinylmethyl)phenyl]acetate
SMILESCOCCS(=O)Cc1ccccc1CC(=O)OC
InChIInChI=1S/C13H18O4S/c1-16-7-8-18(15)10-12-6-4-3-5-11(12)9-13(14)17-2/h3-6H,7-10H2,1-2H3
InChIKeyMSCOJHQXWSZNNM-UHFFFAOYSA-N
XLogP1.30
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[2-(2-methoxyethylsulfinylmethyl)phenyl]acetate 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

methyl 2-[2-(3-methoxypropylsulfinylmethyl)phenyl]acetate
CID 115463281
methyl 2-[2-(propylsulfinylmethyl)phenyl]acetate
CID 115463243
methyl 2-[2-(2-methylpropylsulfinylmethyl)phenyl]acetate
CID 113314707
2-(2-methoxyethylsulfinylmethyl)aniline
CID 61287219
methyl 2-[2-(2-oxopropyl)phenyl]acetate
CID 70551388
methyl 2-[2-[(2-fluorophenyl)sulfinylmethyl]phenyl]acetate
CID 115463232
methyl 2-[2-[(3-bromophenyl)sulfinylmethyl]phenyl]acetate
CID 115463274
ethane;methyl 2-(2-methylphenyl)acetate
CID 142489189
2-(2-methoxy-2-oxoethyl)phenolate
CID 19356399
methyl 2-(2-butylphenyl)acetate
CID 141125258
methyl 2-[2-hydroxy-3-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356446
sodium 2-(2-methoxy-2-oxoethyl)phenolate
CID 162306929

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-methoxyethylsulfinylmethyl)phenyl]acetate?
The IUPAC name of methyl 2-[2-(2-methoxyethylsulfinylmethyl)phenyl]acetate (CID 113314708) is methyl 2-[2-(2-methoxyethylsulfinylmethyl)phenyl]acetate.
What is the SMILES notation for methyl 2-[2-(2-methoxyethylsulfinylmethyl)phenyl]acetate?
The canonical SMILES for methyl 2-[2-(2-methoxyethylsulfinylmethyl)phenyl]acetate is COCCS(=O)Cc1ccccc1CC(=O)OC.
What is the InChIKey of methyl 2-[2-(2-methoxyethylsulfinylmethyl)phenyl]acetate?
The InChIKey is MSCOJHQXWSZNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4S/c1-16-7-8-18(15)10-12-6-4-3-5-11(12)9-13(14)17-2/h3-6H,7-10H2,1-2H3.
What are the key properties of methyl 2-[2-(2-methoxyethylsulfinylmethyl)phenyl]acetate?
methyl 2-[2-(2-methoxyethylsulfinylmethyl)phenyl]acetate has a molecular weight of 270.35 g/mol, XLogP of 1.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-methoxyethylsulfinylmethyl)phenyl]acetate is sourced from PubChem (CID 113314708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).