1-(2-methoxyethoxymethoxymethyl)-4-methylsulfanylbenzene

C12H18O3S — CID 101092504

IUPAC1-(2-methoxyethoxymethoxymethyl)-4-methylsulfanylbenzene
SMILESCOCCOCOCc1ccc(SC)cc1
InChIInChI=1S/C12H18O3S/c1-13-7-8-14-10-15-9-11-3-5-12(16-2)6-4-11/h3-6H,7-10H2,1-2H3
InChIKeyZJDIGHTUQGMIIY-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.55
Rot. Bonds8

About 1-(2-methoxyethoxymethoxymethyl)-4-methylsulfanylbenzene

1-(2-methoxyethoxymethoxymethyl)-4-methylsulfanylbenzene (PubChem CID 101092504) has the molecular formula C12H18O3S and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-(2-methoxyethoxymethoxymethyl)-4-methylsulfanylbenzene.

Molecular Properties

Compound Name1-(2-methoxyethoxymethoxymethyl)-4-methylsulfanylbenzene
PubChem CID101092504
Molecular FormulaC12H18O3S
Molecular Weight242.34 g/mol
Exact Mass242.10
IUPAC Name1-(2-methoxyethoxymethoxymethyl)-4-methylsulfanylbenzene
SMILESCOCCOCOCc1ccc(SC)cc1
InChIInChI=1S/C12H18O3S/c1-13-7-8-14-10-15-9-11-3-5-12(16-2)6-4-11/h3-6H,7-10H2,1-2H3
InChIKeyZJDIGHTUQGMIIY-UHFFFAOYSA-N
XLogP2.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(butoxymethyl)-4-methylsulfanylbenzene
CID 54189278
1,4-bis(methoxymethoxymethyl)benzene
CID 121009952
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-4-[2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethynyl]benzene
CID 102087372
4-(methoxymethyl)-N-(4-methylsulfanylphenyl)benzamide
CID 9153906
5-(2-methoxyethoxymethoxymethyl)-1,3-benzodioxole
CID 13257944
1-methoxy-4-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 102074732
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
N-(2-methoxyethyl)-N'-[(4-methylsulfanylphenyl)methyl]ethane-1,2-diamine
CID 113405500
4-[2-(2-methoxyethoxy)ethoxymethyl]benzonitrile
CID 104561665
2-(2-methoxyethoxymethoxymethyl)phenol
CID 23251146
1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene
CID 21396720
1-methoxy-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine
CID 3126332

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxymethoxymethyl)-4-methylsulfanylbenzene?
The IUPAC name of 1-(2-methoxyethoxymethoxymethyl)-4-methylsulfanylbenzene (CID 101092504) is 1-(2-methoxyethoxymethoxymethyl)-4-methylsulfanylbenzene.
What is the SMILES notation for 1-(2-methoxyethoxymethoxymethyl)-4-methylsulfanylbenzene?
The canonical SMILES for 1-(2-methoxyethoxymethoxymethyl)-4-methylsulfanylbenzene is COCCOCOCc1ccc(SC)cc1.
What is the InChIKey of 1-(2-methoxyethoxymethoxymethyl)-4-methylsulfanylbenzene?
The InChIKey is ZJDIGHTUQGMIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3S/c1-13-7-8-14-10-15-9-11-3-5-12(16-2)6-4-11/h3-6H,7-10H2,1-2H3.
What are the key properties of 1-(2-methoxyethoxymethoxymethyl)-4-methylsulfanylbenzene?
1-(2-methoxyethoxymethoxymethyl)-4-methylsulfanylbenzene has a molecular weight of 242.34 g/mol, XLogP of 2.55, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxymethoxymethyl)-4-methylsulfanylbenzene is sourced from PubChem (CID 101092504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).