4-(2-methoxyethyl)-1-methyl-2-methylsulfanylbenzene

C11H16OS — CID 23282557

IUPAC4-(2-methoxyethyl)-1-methyl-2-methylsulfanylbenzene
SMILESCOCCc1ccc(C)c(SC)c1
InChIInChI=1S/C11H16OS/c1-9-4-5-10(6-7-12-2)8-11(9)13-3/h4-5,8H,6-7H2,1-3H3
InChIKeyZPCODIWXHRHDCM-UHFFFAOYSA-N
MW196.31 g/mol
LogP2.91
Rot. Bonds4

About 4-(2-methoxyethyl)-1-methyl-2-methylsulfanylbenzene

4-(2-methoxyethyl)-1-methyl-2-methylsulfanylbenzene (PubChem CID 23282557) has the molecular formula C11H16OS and a molecular weight of 196.31 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-1-methyl-2-methylsulfanylbenzene.

Molecular Properties

Compound Name4-(2-methoxyethyl)-1-methyl-2-methylsulfanylbenzene
PubChem CID23282557
Molecular FormulaC11H16OS
Molecular Weight196.31 g/mol
Exact Mass196.09
IUPAC Name4-(2-methoxyethyl)-1-methyl-2-methylsulfanylbenzene
SMILESCOCCc1ccc(C)c(SC)c1
InChIInChI=1S/C11H16OS/c1-9-4-5-10(6-7-12-2)8-11(9)13-3/h4-5,8H,6-7H2,1-3H3
InChIKeyZPCODIWXHRHDCM-UHFFFAOYSA-N
XLogP2.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-1-methyl-2-methylsulfanylbenzene?
The IUPAC name of 4-(2-methoxyethyl)-1-methyl-2-methylsulfanylbenzene (CID 23282557) is 4-(2-methoxyethyl)-1-methyl-2-methylsulfanylbenzene.
What is the SMILES notation for 4-(2-methoxyethyl)-1-methyl-2-methylsulfanylbenzene?
The canonical SMILES for 4-(2-methoxyethyl)-1-methyl-2-methylsulfanylbenzene is COCCc1ccc(C)c(SC)c1.
What is the InChIKey of 4-(2-methoxyethyl)-1-methyl-2-methylsulfanylbenzene?
The InChIKey is ZPCODIWXHRHDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS/c1-9-4-5-10(6-7-12-2)8-11(9)13-3/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 4-(2-methoxyethyl)-1-methyl-2-methylsulfanylbenzene?
4-(2-methoxyethyl)-1-methyl-2-methylsulfanylbenzene has a molecular weight of 196.31 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-1-methyl-2-methylsulfanylbenzene is sourced from PubChem (CID 23282557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).