1-(2-methoxyethoxy)-4-methylsulfanyloxybenzene

C10H14O3S — CID 59702789

IUPAC1-(2-methoxyethoxy)-4-methylsulfanyloxybenzene
SMILESCOCCOc1ccc(OSC)cc1
InChIInChI=1S/C10H14O3S/c1-11-7-8-12-9-3-5-10(6-4-9)13-14-2/h3-6H,7-8H2,1-2H3
InChIKeyDJPLXRLGGKNYLM-UHFFFAOYSA-N
MW214.29 g/mol
LogP2.37
Rot. Bonds6

About 1-(2-methoxyethoxy)-4-methylsulfanyloxybenzene

1-(2-methoxyethoxy)-4-methylsulfanyloxybenzene (PubChem CID 59702789) has the molecular formula C10H14O3S and a molecular weight of 214.29 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-4-methylsulfanyloxybenzene.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-4-methylsulfanyloxybenzene
PubChem CID59702789
Molecular FormulaC10H14O3S
Molecular Weight214.29 g/mol
Exact Mass214.07
IUPAC Name1-(2-methoxyethoxy)-4-methylsulfanyloxybenzene
SMILESCOCCOc1ccc(OSC)cc1
InChIInChI=1S/C10H14O3S/c1-11-7-8-12-9-3-5-10(6-4-9)13-14-2/h3-6H,7-8H2,1-2H3
InChIKeyDJPLXRLGGKNYLM-UHFFFAOYSA-N
XLogP2.37
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 52.37
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'}

Analyze 1-(2-methoxyethoxy)-4-methylsulfanyloxybenzene 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

trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide
CID 63677654
1-(2-methoxyethoxy)-4-phenylbenzene
CID 20582782
[4-(2-methoxyethoxy)phenyl]-methylidyneazanium
CID 177451533
1-but-1-ynyl-4-(2-methoxyethoxy)benzene
CID 118700048
1-chloro-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene
CID 71108634
1,2-bis[4-(2-methoxyethoxy)phenyl]ethane-1,2-diamine
CID 101255138
potassium trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide
CID 63677653
1-methylsulfanyl-4-[2-(4-methylsulfanylphenoxy)ethoxy]benzene
CID 70368066
3-[4-(2-methoxyethoxy)phenyl]propanenitrile
CID 98014003
2-[4-(2-methoxyethoxy)phenyl]propan-2-amine
CID 95440689
1-[4-(2-methoxyethoxy)phenyl]-N,N-dimethylmethanamine
CID 166879761
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-[1,2,2-tris[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethenyl]benzene
CID 102529965

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-4-methylsulfanyloxybenzene?
The IUPAC name of 1-(2-methoxyethoxy)-4-methylsulfanyloxybenzene (CID 59702789) is 1-(2-methoxyethoxy)-4-methylsulfanyloxybenzene.
What is the SMILES notation for 1-(2-methoxyethoxy)-4-methylsulfanyloxybenzene?
The canonical SMILES for 1-(2-methoxyethoxy)-4-methylsulfanyloxybenzene is COCCOc1ccc(OSC)cc1.
What is the InChIKey of 1-(2-methoxyethoxy)-4-methylsulfanyloxybenzene?
The InChIKey is DJPLXRLGGKNYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3S/c1-11-7-8-12-9-3-5-10(6-4-9)13-14-2/h3-6H,7-8H2,1-2H3.
What are the key properties of 1-(2-methoxyethoxy)-4-methylsulfanyloxybenzene?
1-(2-methoxyethoxy)-4-methylsulfanyloxybenzene has a molecular weight of 214.29 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-4-methylsulfanyloxybenzene is sourced from PubChem (CID 59702789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).