ethyl 2-(2-methoxy-4-methylsulfanylphenyl)acetate

C12H16O3S — CID 91881373

IUPACethyl 2-(2-methoxy-4-methylsulfanylphenyl)acetate
SMILESCCOC(=O)Cc1ccc(SC)cc1OC
InChIInChI=1S/C12H16O3S/c1-4-15-12(13)7-9-5-6-10(16-3)8-11(9)14-2/h5-6,8H,4,7H2,1-3H3
InChIKeyDSIDHNHXYGRANQ-UHFFFAOYSA-N
MW240.32 g/mol
LogP2.52
Rot. Bonds5

About ethyl 2-(2-methoxy-4-methylsulfanylphenyl)acetate

ethyl 2-(2-methoxy-4-methylsulfanylphenyl)acetate (PubChem CID 91881373) has the molecular formula C12H16O3S and a molecular weight of 240.32 g/mol. Its IUPAC name is ethyl 2-(2-methoxy-4-methylsulfanylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-methoxy-4-methylsulfanylphenyl)acetate
PubChem CID91881373
Molecular FormulaC12H16O3S
Molecular Weight240.32 g/mol
Exact Mass240.08
IUPAC Nameethyl 2-(2-methoxy-4-methylsulfanylphenyl)acetate
SMILESCCOC(=O)Cc1ccc(SC)cc1OC
InChIInChI=1S/C12H16O3S/c1-4-15-12(13)7-9-5-6-10(16-3)8-11(9)14-2/h5-6,8H,4,7H2,1-3H3
InChIKeyDSIDHNHXYGRANQ-UHFFFAOYSA-N
XLogP2.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-hydroxy-2-methoxyphenyl)acetate
CID 105463832
ethyl 2-(4-methanethioyl-2-methoxyphenyl)acetate
CID 23282572
3-(2-methoxy-4-methylsulfanylphenyl)propanoic acid
CID 91881318
ethyl 2-(4-ethyl-2-methoxyphenyl)acetate;hexane
CID 139561752
ethyl 2-(3-methoxy-4-methylsulfanylphenyl)acetate
CID 91881387
ethane;ethyl 2-(4-formamido-2-methoxyphenyl)acetate
CID 153350348
ethyl 2-(4,5-dichloro-2-methoxyphenyl)acetate
CID 82553976
1-(2-methoxy-4-methylsulfanylphenyl)propan-2-ol
CID 117303281
ethyl 2-(3-bromo-4-methoxy-2-methylphenyl)acetate
CID 171001780
ethyl 2-(2-fluoro-5-methoxy-4-methylphenyl)acetate
CID 171008386
ethyl 2-(3-chloro-4-methoxy-2-methylphenyl)acetate
CID 171005875
ethyl 2-(4-fluoro-5-methoxy-2-methylphenyl)acetate
CID 171008387

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methoxy-4-methylsulfanylphenyl)acetate?
The IUPAC name of ethyl 2-(2-methoxy-4-methylsulfanylphenyl)acetate (CID 91881373) is ethyl 2-(2-methoxy-4-methylsulfanylphenyl)acetate.
What is the SMILES notation for ethyl 2-(2-methoxy-4-methylsulfanylphenyl)acetate?
The canonical SMILES for ethyl 2-(2-methoxy-4-methylsulfanylphenyl)acetate is CCOC(=O)Cc1ccc(SC)cc1OC.
What is the InChIKey of ethyl 2-(2-methoxy-4-methylsulfanylphenyl)acetate?
The InChIKey is DSIDHNHXYGRANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3S/c1-4-15-12(13)7-9-5-6-10(16-3)8-11(9)14-2/h5-6,8H,4,7H2,1-3H3.
What are the key properties of ethyl 2-(2-methoxy-4-methylsulfanylphenyl)acetate?
ethyl 2-(2-methoxy-4-methylsulfanylphenyl)acetate has a molecular weight of 240.32 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methoxy-4-methylsulfanylphenyl)acetate is sourced from PubChem (CID 91881373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).