1-(ethylsulfanylmethoxymethyl)-4-methoxybenzene

C11H16O2S — CID 101098323

IUPAC1-(ethylsulfanylmethoxymethyl)-4-methoxybenzene
SMILESCCSCOCc1ccc(OC)cc1
InChIInChI=1S/C11H16O2S/c1-3-14-9-13-8-10-4-6-11(12-2)7-5-10/h4-7H,3,8-9H2,1-2H3
InChIKeyJZMFUPPHXLYIAU-UHFFFAOYSA-N
MW212.31 g/mol
LogP2.92
Rot. Bonds6

About 1-(ethylsulfanylmethoxymethyl)-4-methoxybenzene

1-(ethylsulfanylmethoxymethyl)-4-methoxybenzene (PubChem CID 101098323) has the molecular formula C11H16O2S and a molecular weight of 212.31 g/mol. Its IUPAC name is 1-(ethylsulfanylmethoxymethyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(ethylsulfanylmethoxymethyl)-4-methoxybenzene
PubChem CID101098323
Molecular FormulaC11H16O2S
Molecular Weight212.31 g/mol
Exact Mass212.09
IUPAC Name1-(ethylsulfanylmethoxymethyl)-4-methoxybenzene
SMILESCCSCOCc1ccc(OC)cc1
InChIInChI=1S/C11H16O2S/c1-3-14-9-13-8-10-4-6-11(12-2)7-5-10/h4-7H,3,8-9H2,1-2H3
InChIKeyJZMFUPPHXLYIAU-UHFFFAOYSA-N
XLogP2.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(ethylsulfanylmethoxymethyl)-4-methoxybenzene 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

1-methoxy-4-[[(E)-4-[(4-methoxyphenyl)methoxy]but-2-enoxy]methyl]benzene
CID 14814212
1-methoxy-4-(2-methylsulfanyloxyethoxymethyl)benzene
CID 143732018
1-methoxy-4-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 102074732
(2R)-4-[(4-methoxyphenyl)methoxy]butane-1,2-diol
CID 44629947
1-methoxy-4-(octoxymethyl)benzene
CID 11288168
(3S,4S)-1,6-bis[(4-methoxyphenyl)methoxy]hexane-3,4-diol
CID 10894444
1-(2-ethylbut-3-enoxymethyl)-4-methoxybenzene
CID 101467389
(4-methoxyphenyl)methyl hypobromite
CID 166766888
1-[(4-methoxyphenyl)methoxy]-2-methylpentan-3-one
CID 58822506
(2R,4S)-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptan-1-ol
CID 71079760
1-[[bis[(4-methoxyphenyl)methoxy]methoxy-[(4-methoxyphenyl)methoxy]methoxy]methyl]-4-methoxybenzene
CID 66849270
1-methoxy-4-[[(2R)-2-methylpent-3-enoxy]methyl]benzene
CID 71377965

Frequently Asked Questions

What is the IUPAC name of 1-(ethylsulfanylmethoxymethyl)-4-methoxybenzene?
The IUPAC name of 1-(ethylsulfanylmethoxymethyl)-4-methoxybenzene (CID 101098323) is 1-(ethylsulfanylmethoxymethyl)-4-methoxybenzene.
What is the SMILES notation for 1-(ethylsulfanylmethoxymethyl)-4-methoxybenzene?
The canonical SMILES for 1-(ethylsulfanylmethoxymethyl)-4-methoxybenzene is CCSCOCc1ccc(OC)cc1.
What is the InChIKey of 1-(ethylsulfanylmethoxymethyl)-4-methoxybenzene?
The InChIKey is JZMFUPPHXLYIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2S/c1-3-14-9-13-8-10-4-6-11(12-2)7-5-10/h4-7H,3,8-9H2,1-2H3.
What are the key properties of 1-(ethylsulfanylmethoxymethyl)-4-methoxybenzene?
1-(ethylsulfanylmethoxymethyl)-4-methoxybenzene has a molecular weight of 212.31 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylsulfanylmethoxymethyl)-4-methoxybenzene is sourced from PubChem (CID 101098323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).