4-ethenylsulfanyl-1-(4-methoxyphenyl)butan-1-ol

C13H18O2S — CID 142725988

IUPAC4-ethenylsulfanyl-1-(4-methoxyphenyl)butan-1-ol
SMILESC=CSCCCC(O)c1ccc(OC)cc1
InChIInChI=1S/C13H18O2S/c1-3-16-10-4-5-13(14)11-6-8-12(15-2)9-7-11/h3,6-9,13-14H,1,4-5,10H2,2H3
InChIKeyYJOUXYRLDMYSMI-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.39
Rot. Bonds7

About 4-ethenylsulfanyl-1-(4-methoxyphenyl)butan-1-ol

4-ethenylsulfanyl-1-(4-methoxyphenyl)butan-1-ol (PubChem CID 142725988) has the molecular formula C13H18O2S and a molecular weight of 238.35 g/mol. Its IUPAC name is 4-ethenylsulfanyl-1-(4-methoxyphenyl)butan-1-ol.

Molecular Properties

Compound Name4-ethenylsulfanyl-1-(4-methoxyphenyl)butan-1-ol
PubChem CID142725988
Molecular FormulaC13H18O2S
Molecular Weight238.35 g/mol
Exact Mass238.10
IUPAC Name4-ethenylsulfanyl-1-(4-methoxyphenyl)butan-1-ol
SMILESC=CSCCCC(O)c1ccc(OC)cc1
InChIInChI=1S/C13H18O2S/c1-3-16-10-4-5-13(14)11-6-8-12(15-2)9-7-11/h3,6-9,13-14H,1,4-5,10H2,2H3
InChIKeyYJOUXYRLDMYSMI-UHFFFAOYSA-N
XLogP3.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
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-methoxyphenyl)pentan-1-ol
CID 10176510
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(1S)-1-(4-methoxyphenyl)pentane-1,5-diol
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1-(4-methoxyphenyl)-4-methylpentan-1-ol
CID 61101415
1-(4-methoxyphenyl)-4-methylpent-4-en-1-ol
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4-methoxy-1-(4-methoxyphenyl)-4-methylpentan-1-ol
CID 103028229
4-hydroxy-4-(4-methoxyphenyl)butanoic acid
CID 4193826
1-(4-methoxyphenyl)(213C)ethane-1,2-diol
CID 101170566
1-(4-ethylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 61089071
1-(4-methoxyphenyl)-3-propan-2-yloxypropan-1-ol
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2-(2-fluorophenyl)-1-(4-methoxyphenyl)ethanol
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Frequently Asked Questions

What is the IUPAC name of 4-ethenylsulfanyl-1-(4-methoxyphenyl)butan-1-ol?
The IUPAC name of 4-ethenylsulfanyl-1-(4-methoxyphenyl)butan-1-ol (CID 142725988) is 4-ethenylsulfanyl-1-(4-methoxyphenyl)butan-1-ol.
What is the SMILES notation for 4-ethenylsulfanyl-1-(4-methoxyphenyl)butan-1-ol?
The canonical SMILES for 4-ethenylsulfanyl-1-(4-methoxyphenyl)butan-1-ol is C=CSCCCC(O)c1ccc(OC)cc1.
What is the InChIKey of 4-ethenylsulfanyl-1-(4-methoxyphenyl)butan-1-ol?
The InChIKey is YJOUXYRLDMYSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2S/c1-3-16-10-4-5-13(14)11-6-8-12(15-2)9-7-11/h3,6-9,13-14H,1,4-5,10H2,2H3.
What are the key properties of 4-ethenylsulfanyl-1-(4-methoxyphenyl)butan-1-ol?
4-ethenylsulfanyl-1-(4-methoxyphenyl)butan-1-ol has a molecular weight of 238.35 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylsulfanyl-1-(4-methoxyphenyl)butan-1-ol is sourced from PubChem (CID 142725988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).