1,2-dimethyl-4-[2-(2-propan-2-yloxyethoxy)ethylsulfanyl]benzene

C15H24O2S — CID 142858731

IUPAC1,2-dimethyl-4-[2-(2-propan-2-yloxyethoxy)ethylsulfanyl]benzene
SMILESCc1ccc(SCCOCCOC(C)C)cc1C
InChIInChI=1S/C15H24O2S/c1-12(2)17-8-7-16-9-10-18-15-6-5-13(3)14(4)11-15/h5-6,11-12H,7-10H2,1-4H3
InChIKeyPPOQVPFINRIRIG-UHFFFAOYSA-N
MW268.42 g/mol
LogP3.84
Rot. Bonds8

About 1,2-dimethyl-4-[2-(2-propan-2-yloxyethoxy)ethylsulfanyl]benzene

1,2-dimethyl-4-[2-(2-propan-2-yloxyethoxy)ethylsulfanyl]benzene (PubChem CID 142858731) has the molecular formula C15H24O2S and a molecular weight of 268.42 g/mol. Its IUPAC name is 1,2-dimethyl-4-[2-(2-propan-2-yloxyethoxy)ethylsulfanyl]benzene.

Molecular Properties

Compound Name1,2-dimethyl-4-[2-(2-propan-2-yloxyethoxy)ethylsulfanyl]benzene
PubChem CID142858731
Molecular FormulaC15H24O2S
Molecular Weight268.42 g/mol
Exact Mass268.15
IUPAC Name1,2-dimethyl-4-[2-(2-propan-2-yloxyethoxy)ethylsulfanyl]benzene
SMILESCc1ccc(SCCOCCOC(C)C)cc1C
InChIInChI=1S/C15H24O2S/c1-12(2)17-8-7-16-9-10-18-15-6-5-13(3)14(4)11-15/h5-6,11-12H,7-10H2,1-4H3
InChIKeyPPOQVPFINRIRIG-UHFFFAOYSA-N
XLogP3.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.42
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,2-dimethyl-4-[2-(2-propan-2-yloxyethoxy)ethylsulfanyl]benzene 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

2-propan-2-yloxyethyl 3-(3,4-dimethylphenyl)sulfanylpropanoate
CID 78830378
2-[2-(3,4-dimethylphenyl)sulfanylethoxy]ethanamine
CID 94684704
1,2-dimethyl-4-propylsulfanylbenzene
CID 130694880
1,2-dimethyl-4-(2-phenylsulfanylethylsulfanyl)benzene
CID 79326651
2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 87184275
6-(3,4-dimethylphenyl)sulfanylhexan-3-amine
CID 106808280
N-(dicyclopropylmethyl)-2-(3,4-dimethylphenyl)sulfanylethanamine
CID 61068047
N-[(2R)-butan-2-yl]-3-(3,4-dimethylphenyl)sulfanylpropanamide
CID 94006127
N-[2-(3,4-dimethylphenyl)sulfanylethyl]-2-methoxyethanamine
CID 60719628
2-[2-(4-fluoro-3-methylphenyl)sulfanylethoxy]ethanamine
CID 94685068
5-(3,4-dimethylphenyl)sulfanylpentanenitrile
CID 60701002
2-[2-(3,4-dimethylphenyl)sulfanylethyl-methylamino]propanoic acid
CID 119913278

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-[2-(2-propan-2-yloxyethoxy)ethylsulfanyl]benzene?
The IUPAC name of 1,2-dimethyl-4-[2-(2-propan-2-yloxyethoxy)ethylsulfanyl]benzene (CID 142858731) is 1,2-dimethyl-4-[2-(2-propan-2-yloxyethoxy)ethylsulfanyl]benzene.
What is the SMILES notation for 1,2-dimethyl-4-[2-(2-propan-2-yloxyethoxy)ethylsulfanyl]benzene?
The canonical SMILES for 1,2-dimethyl-4-[2-(2-propan-2-yloxyethoxy)ethylsulfanyl]benzene is Cc1ccc(SCCOCCOC(C)C)cc1C.
What is the InChIKey of 1,2-dimethyl-4-[2-(2-propan-2-yloxyethoxy)ethylsulfanyl]benzene?
The InChIKey is PPOQVPFINRIRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2S/c1-12(2)17-8-7-16-9-10-18-15-6-5-13(3)14(4)11-15/h5-6,11-12H,7-10H2,1-4H3.
What are the key properties of 1,2-dimethyl-4-[2-(2-propan-2-yloxyethoxy)ethylsulfanyl]benzene?
1,2-dimethyl-4-[2-(2-propan-2-yloxyethoxy)ethylsulfanyl]benzene has a molecular weight of 268.42 g/mol, XLogP of 3.84, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-[2-(2-propan-2-yloxyethoxy)ethylsulfanyl]benzene is sourced from PubChem (CID 142858731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).