1-(2-methoxyethylsulfanylmethyl)-4-propan-2-ylbenzene

C13H20OS — CID 112815273

IUPAC1-(2-methoxyethylsulfanylmethyl)-4-propan-2-ylbenzene
SMILESCOCCSCc1ccc(C(C)C)cc1
InChIInChI=1S/C13H20OS/c1-11(2)13-6-4-12(5-7-13)10-15-9-8-14-3/h4-7,11H,8-10H2,1-3H3
InChIKeyZOFVVCOWFAEPEW-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.69
Rot. Bonds6

About 1-(2-methoxyethylsulfanylmethyl)-4-propan-2-ylbenzene

1-(2-methoxyethylsulfanylmethyl)-4-propan-2-ylbenzene (PubChem CID 112815273) has the molecular formula C13H20OS and a molecular weight of 224.37 g/mol. Its IUPAC name is 1-(2-methoxyethylsulfanylmethyl)-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(2-methoxyethylsulfanylmethyl)-4-propan-2-ylbenzene
PubChem CID112815273
Molecular FormulaC13H20OS
Molecular Weight224.37 g/mol
Exact Mass224.12
IUPAC Name1-(2-methoxyethylsulfanylmethyl)-4-propan-2-ylbenzene
SMILESCOCCSCc1ccc(C(C)C)cc1
InChIInChI=1S/C13H20OS/c1-11(2)13-6-4-12(5-7-13)10-15-9-8-14-3/h4-7,11H,8-10H2,1-3H3
InChIKeyZOFVVCOWFAEPEW-UHFFFAOYSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-methoxyethylsulfanylmethyl)-4-propan-2-ylbenzene 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-[2-[(4-propan-2-ylphenyl)methylsulfanyl]ethoxy]ethanamine
CID 82181090
2-[4-(2-methoxyethylsulfanylmethyl)phenyl]acetic acid
CID 105345115
1-bromo-4-(2-propan-2-yloxyethylsulfanylmethyl)benzene
CID 78790399
1-[4-(2-methoxyethylsulfanylmethyl)phenyl]imidazole
CID 75376269
1,4-bis(3-methylbutylsulfanylmethyl)benzene
CID 10686441
1-(4-ethylphenyl)-2-(2-methoxyethylsulfanyl)-N-methylethanamine
CID 64613258
[3-chloro-4-(2-methoxyethylsulfanylmethyl)phenyl]methanamine
CID 102669087
4-methoxy-2-[(4-propan-2-ylphenyl)methylsulfanyl]aniline
CID 79519175
1-(4-aminophenyl)-2-(2-methoxyethylsulfanyl)ethanol
CID 62264556
3-methoxy-1-(4-propan-2-ylphenyl)propan-1-ol
CID 62607398
1-(2-methoxyethylamino)-3-(4-propan-2-ylphenyl)propan-2-one
CID 116591634
4-(2-methoxyethylsulfanylmethyl)pyridin-2-amine
CID 62468388

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylsulfanylmethyl)-4-propan-2-ylbenzene?
The IUPAC name of 1-(2-methoxyethylsulfanylmethyl)-4-propan-2-ylbenzene (CID 112815273) is 1-(2-methoxyethylsulfanylmethyl)-4-propan-2-ylbenzene.
What is the SMILES notation for 1-(2-methoxyethylsulfanylmethyl)-4-propan-2-ylbenzene?
The canonical SMILES for 1-(2-methoxyethylsulfanylmethyl)-4-propan-2-ylbenzene is COCCSCc1ccc(C(C)C)cc1.
What is the InChIKey of 1-(2-methoxyethylsulfanylmethyl)-4-propan-2-ylbenzene?
The InChIKey is ZOFVVCOWFAEPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20OS/c1-11(2)13-6-4-12(5-7-13)10-15-9-8-14-3/h4-7,11H,8-10H2,1-3H3.
What are the key properties of 1-(2-methoxyethylsulfanylmethyl)-4-propan-2-ylbenzene?
1-(2-methoxyethylsulfanylmethyl)-4-propan-2-ylbenzene has a molecular weight of 224.37 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylsulfanylmethyl)-4-propan-2-ylbenzene is sourced from PubChem (CID 112815273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).