1-methoxy-4-(2-methylsulfanyloxyethoxymethyl)benzene

C11H16O3S — CID 143732018

IUPAC1-methoxy-4-(2-methylsulfanyloxyethoxymethyl)benzene
SMILESCOc1ccc(COCCOSC)cc1
InChIInChI=1S/C11H16O3S/c1-12-11-5-3-10(4-6-11)9-13-7-8-14-15-2/h3-6H,7-9H2,1-2H3
InChIKeyYIZDUEFBELWAAC-UHFFFAOYSA-N
MW228.31 g/mol
LogP2.51
Rot. Bonds7

About 1-methoxy-4-(2-methylsulfanyloxyethoxymethyl)benzene

1-methoxy-4-(2-methylsulfanyloxyethoxymethyl)benzene (PubChem CID 143732018) has the molecular formula C11H16O3S and a molecular weight of 228.31 g/mol. Its IUPAC name is 1-methoxy-4-(2-methylsulfanyloxyethoxymethyl)benzene.

Molecular Properties

Compound Name1-methoxy-4-(2-methylsulfanyloxyethoxymethyl)benzene
PubChem CID143732018
Molecular FormulaC11H16O3S
Molecular Weight228.31 g/mol
Exact Mass228.08
IUPAC Name1-methoxy-4-(2-methylsulfanyloxyethoxymethyl)benzene
SMILESCOc1ccc(COCCOSC)cc1
InChIInChI=1S/C11H16O3S/c1-12-11-5-3-10(4-6-11)9-13-7-8-14-15-2/h3-6H,7-9H2,1-2H3
InChIKeyYIZDUEFBELWAAC-UHFFFAOYSA-N
XLogP2.51
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-4-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 102074732
4-[(4-methoxyphenyl)methoxy]butoxy thiohypoiodite
CID 170713872
1-bromo-4-[4-(4-methoxyphenyl)butoxymethyl]benzene
CID 24799162
4-[2-[(4-methoxyphenyl)methoxy]ethoxy]aniline
CID 43174442
4-[2-[(4-methoxyphenyl)methoxy]ethyl]phenol
CID 22157586
1-methoxy-4-(7-phenylmethoxyheptoxymethyl)benzene
CID 101026265
(3S,4S)-1,6-bis[(4-methoxyphenyl)methoxy]hexane-3,4-diol
CID 10894444
1-methoxy-4-(octoxymethyl)benzene
CID 11288168
1-iodo-4-[4-(4-methoxyphenyl)butoxymethyl]benzene
CID 24799167
1-methoxy-4-[[(E)-4-[(4-methoxyphenyl)methoxy]but-2-enoxy]methyl]benzene
CID 14814212
1-(ethylsulfanylmethoxymethyl)-4-methoxybenzene
CID 101098323
1-methoxy-4-(2-pentadec-14-ynoxyethoxymethyl)benzene
CID 162744243

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(2-methylsulfanyloxyethoxymethyl)benzene?
The IUPAC name of 1-methoxy-4-(2-methylsulfanyloxyethoxymethyl)benzene (CID 143732018) is 1-methoxy-4-(2-methylsulfanyloxyethoxymethyl)benzene.
What is the SMILES notation for 1-methoxy-4-(2-methylsulfanyloxyethoxymethyl)benzene?
The canonical SMILES for 1-methoxy-4-(2-methylsulfanyloxyethoxymethyl)benzene is COc1ccc(COCCOSC)cc1.
What is the InChIKey of 1-methoxy-4-(2-methylsulfanyloxyethoxymethyl)benzene?
The InChIKey is YIZDUEFBELWAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3S/c1-12-11-5-3-10(4-6-11)9-13-7-8-14-15-2/h3-6H,7-9H2,1-2H3.
What are the key properties of 1-methoxy-4-(2-methylsulfanyloxyethoxymethyl)benzene?
1-methoxy-4-(2-methylsulfanyloxyethoxymethyl)benzene has a molecular weight of 228.31 g/mol, XLogP of 2.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(2-methylsulfanyloxyethoxymethyl)benzene is sourced from PubChem (CID 143732018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).