1-chloro-4-[2-[2-(2-methoxyethoxy)ethoxy]-2-phenylethyl]sulfanylbenzene

C19H23ClO3S — CID 146162748

IUPAC1-chloro-4-[2-[2-(2-methoxyethoxy)ethoxy]-2-phenylethyl]sulfanylbenzene
SMILESCOCCOCCOC(CSc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C19H23ClO3S/c1-21-11-12-22-13-14-23-19(16-5-3-2-4-6-16)15-24-18-9-7-17(20)8-10-18/h2-10,19H,11-15H2,1H3
InChIKeyVKDITWCUTJYBKW-UHFFFAOYSA-N
MW366.91 g/mol
LogP4.85
Rot. Bonds11

About 1-chloro-4-[2-[2-(2-methoxyethoxy)ethoxy]-2-phenylethyl]sulfanylbenzene

1-chloro-4-[2-[2-(2-methoxyethoxy)ethoxy]-2-phenylethyl]sulfanylbenzene (PubChem CID 146162748) has the molecular formula C19H23ClO3S and a molecular weight of 366.91 g/mol. Its IUPAC name is 1-chloro-4-[2-[2-(2-methoxyethoxy)ethoxy]-2-phenylethyl]sulfanylbenzene.

Molecular Properties

Compound Name1-chloro-4-[2-[2-(2-methoxyethoxy)ethoxy]-2-phenylethyl]sulfanylbenzene
PubChem CID146162748
Molecular FormulaC19H23ClO3S
Molecular Weight366.91 g/mol
Exact Mass366.11
IUPAC Name1-chloro-4-[2-[2-(2-methoxyethoxy)ethoxy]-2-phenylethyl]sulfanylbenzene
SMILESCOCCOCCOC(CSc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C19H23ClO3S/c1-21-11-12-22-13-14-23-19(16-5-3-2-4-6-16)15-24-18-9-7-17(20)8-10-18/h2-10,19H,11-15H2,1H3
InChIKeyVKDITWCUTJYBKW-UHFFFAOYSA-N
XLogP4.85
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.91
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S)-2-(4-chlorophenyl)sulfanyl-1-phenylpropan-1-ol
CID 44436340
[(1R,2S)-2-(4-chlorophenyl)sulfanyl-1-phenylpropyl] acetate
CID 44436347
1,2-Bis(phenylmethoxy)-3-phenylthiopropane
CID 4573537
6-[(4-Chlorophenyl)sulfanylmethyl]-3,3-dipentyl-6-phenyl-1,2,4-trioxane
CID 71597171
[(2-Ethoxy-2-phenylethyl)sulfanyl]benzene
CID 13207462
2-(4-Chlorophenylsulfanyl)-1-phenyl-ethanol
CID 13840761
(2R,3S,4S)-3-[(4-chlorophenyl)methoxy]-2-[(4-chlorophenyl)methoxymethyl]-4-fluoro-5-methylthiolane
CID 118120921
6-(4-Chlorophenyl)-2,2-dimethyl-4-((3-(trifluoromethyl)phenyl)thio)tetrahydro-2H-pyran
CID 118432452
2-(4-Chlorophenyl)-5-[3-(trifluoromethyl)phenyl]sulfanyloxane
CID 118432527
2-(4-Chlorophenyl)-4-((3-(trifluoromethyl)phenyl)thio)tetrahydro-2H-pyran
CID 118432572
2-(2-Chloro-5-methylsulfanylphenyl)-4-methyl-4-[3-(trifluoromethyl)phenyl]sulfanyloxane
CID 144945950
1-Benzylsulfanyl-4-chloro-2-(1,1-difluoro-2-phenylmethoxyethyl)benzene
CID 167519143

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[2-[2-(2-methoxyethoxy)ethoxy]-2-phenylethyl]sulfanylbenzene?
The IUPAC name of 1-chloro-4-[2-[2-(2-methoxyethoxy)ethoxy]-2-phenylethyl]sulfanylbenzene (CID 146162748) is 1-chloro-4-[2-[2-(2-methoxyethoxy)ethoxy]-2-phenylethyl]sulfanylbenzene.
What is the SMILES notation for 1-chloro-4-[2-[2-(2-methoxyethoxy)ethoxy]-2-phenylethyl]sulfanylbenzene?
The canonical SMILES for 1-chloro-4-[2-[2-(2-methoxyethoxy)ethoxy]-2-phenylethyl]sulfanylbenzene is COCCOCCOC(CSc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 1-chloro-4-[2-[2-(2-methoxyethoxy)ethoxy]-2-phenylethyl]sulfanylbenzene?
The InChIKey is VKDITWCUTJYBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClO3S/c1-21-11-12-22-13-14-23-19(16-5-3-2-4-6-16)15-24-18-9-7-17(20)8-10-18/h2-10,19H,11-15H2,1H3.
What are the key properties of 1-chloro-4-[2-[2-(2-methoxyethoxy)ethoxy]-2-phenylethyl]sulfanylbenzene?
1-chloro-4-[2-[2-(2-methoxyethoxy)ethoxy]-2-phenylethyl]sulfanylbenzene has a molecular weight of 366.91 g/mol, XLogP of 4.85, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[2-[2-(2-methoxyethoxy)ethoxy]-2-phenylethyl]sulfanylbenzene is sourced from PubChem (CID 146162748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).