1-(2-methoxyethyl)-4-(2-phenylsulfanylethoxy)benzene

C17H20O2S — CID 79403925

IUPAC1-(2-methoxyethyl)-4-(2-phenylsulfanylethoxy)benzene
SMILESCOCCc1ccc(OCCSc2ccccc2)cc1
InChIInChI=1S/C17H20O2S/c1-18-12-11-15-7-9-16(10-8-15)19-13-14-20-17-5-3-2-4-6-17/h2-10H,11-14H2,1H3
InChIKeyRIQBWDQTBOGDES-UHFFFAOYSA-N
MW288.41 g/mol
LogP4.05
Rot. Bonds8

About 1-(2-methoxyethyl)-4-(2-phenylsulfanylethoxy)benzene

1-(2-methoxyethyl)-4-(2-phenylsulfanylethoxy)benzene (PubChem CID 79403925) has the molecular formula C17H20O2S and a molecular weight of 288.41 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-(2-phenylsulfanylethoxy)benzene.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-(2-phenylsulfanylethoxy)benzene
PubChem CID79403925
Molecular FormulaC17H20O2S
Molecular Weight288.41 g/mol
Exact Mass288.12
IUPAC Name1-(2-methoxyethyl)-4-(2-phenylsulfanylethoxy)benzene
SMILESCOCCc1ccc(OCCSc2ccccc2)cc1
InChIInChI=1S/C17H20O2S/c1-18-12-11-15-7-9-16(10-8-15)19-13-14-20-17-5-3-2-4-6-17/h2-10H,11-14H2,1H3
InChIKeyRIQBWDQTBOGDES-UHFFFAOYSA-N
XLogP4.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-methoxyethyl)phenoxy]-3-phenylsulfanylpropane-2-thiol
CID 102274011
1-methyl-4-(2-phenylsulfanylethoxy)benzene
CID 21280733
1-butoxy-4-(2-phenylsulfanylethyl)benzene;pentahydrofluoride
CID 67939398
N-[3-(4-methoxyphenyl)propyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 43909022
2-methoxyethylbenzene
CID 19089
2-[4-(2-methoxyethyl)phenoxy]-1-phenylethanol
CID 60730618
N-methyl-4-(2-phenylsulfanylethoxy)benzamide
CID 53283867
1-methoxy-4-(2-phenylethylsulfanyl)benzene
CID 15739781
1-(2-phenylsulfanylethoxy)-4-(trifluoromethyl)benzene
CID 79403226
(1R)-1-[4-(2-phenylsulfanylethoxy)phenyl]propan-1-ol
CID 79222984
1-ethylsulfanyl-4-(2-methoxyethyl)benzene
CID 134320195
1-methoxy-4-(2-phenylethoxy)benzene
CID 101213669

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-(2-phenylsulfanylethoxy)benzene?
The IUPAC name of 1-(2-methoxyethyl)-4-(2-phenylsulfanylethoxy)benzene (CID 79403925) is 1-(2-methoxyethyl)-4-(2-phenylsulfanylethoxy)benzene.
What is the SMILES notation for 1-(2-methoxyethyl)-4-(2-phenylsulfanylethoxy)benzene?
The canonical SMILES for 1-(2-methoxyethyl)-4-(2-phenylsulfanylethoxy)benzene is COCCc1ccc(OCCSc2ccccc2)cc1.
What is the InChIKey of 1-(2-methoxyethyl)-4-(2-phenylsulfanylethoxy)benzene?
The InChIKey is RIQBWDQTBOGDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2S/c1-18-12-11-15-7-9-16(10-8-15)19-13-14-20-17-5-3-2-4-6-17/h2-10H,11-14H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-4-(2-phenylsulfanylethoxy)benzene?
1-(2-methoxyethyl)-4-(2-phenylsulfanylethoxy)benzene has a molecular weight of 288.41 g/mol, XLogP of 4.05, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-(2-phenylsulfanylethoxy)benzene is sourced from PubChem (CID 79403925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).