1-(5-chloro-2-methoxyphenyl)-3-propylsulfanylpropan-2-ol

C13H19ClO2S — CID 65129834

IUPAC1-(5-chloro-2-methoxyphenyl)-3-propylsulfanylpropan-2-ol
SMILESCCCSCC(O)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C13H19ClO2S/c1-3-6-17-9-12(15)8-10-7-11(14)4-5-13(10)16-2/h4-5,7,12,15H,3,6,8-9H2,1-2H3
InChIKeyGDUXUZHRCNMYNZ-UHFFFAOYSA-N
MW274.81 g/mol
LogP3.40
Rot. Bonds7

About 1-(5-chloro-2-methoxyphenyl)-3-propylsulfanylpropan-2-ol

1-(5-chloro-2-methoxyphenyl)-3-propylsulfanylpropan-2-ol (PubChem CID 65129834) has the molecular formula C13H19ClO2S and a molecular weight of 274.81 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-propylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-propylsulfanylpropan-2-ol
PubChem CID65129834
Molecular FormulaC13H19ClO2S
Molecular Weight274.81 g/mol
Exact Mass274.08
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-propylsulfanylpropan-2-ol
SMILESCCCSCC(O)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C13H19ClO2S/c1-3-6-17-9-12(15)8-10-7-11(14)4-5-13(10)16-2/h4-5,7,12,15H,3,6,8-9H2,1-2H3
InChIKeyGDUXUZHRCNMYNZ-UHFFFAOYSA-N
XLogP3.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.81
LogP ≤ 53.40
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-(5-chloro-2-methoxyphenyl)-4-methylsulfanylbutan-2-ol
CID 65148808
3-[(5-chloro-2-methoxyphenyl)methylsulfanyl]propane-1,2-diol
CID 71862901
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 62608604
1-(5-chloro-2-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66096098
1-(5-chloro-2-methoxyphenyl)-3-propylhexan-2-ol
CID 115788751
1-(5-chloro-2-methoxyphenyl)-5-methoxypentan-2-ol
CID 65091964
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-ol
CID 63562020
1-(5-chloro-2-methoxyphenyl)-3-ethylpentane-2,3-diol
CID 103449379
1-(5-chloro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 62606334
1-(5-chloro-2-methoxyphenyl)-3-methyl-4-methylsulfanylbutan-2-amine
CID 114221939
1-(2,4-dichlorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol
CID 62162037
2-(5-chloro-2-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol
CID 115788665

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-propylsulfanylpropan-2-ol?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-propylsulfanylpropan-2-ol (CID 65129834) is 1-(5-chloro-2-methoxyphenyl)-3-propylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-propylsulfanylpropan-2-ol?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-propylsulfanylpropan-2-ol is CCCSCC(O)Cc1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-propylsulfanylpropan-2-ol?
The InChIKey is GDUXUZHRCNMYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO2S/c1-3-6-17-9-12(15)8-10-7-11(14)4-5-13(10)16-2/h4-5,7,12,15H,3,6,8-9H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-propylsulfanylpropan-2-ol?
1-(5-chloro-2-methoxyphenyl)-3-propylsulfanylpropan-2-ol has a molecular weight of 274.81 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-propylsulfanylpropan-2-ol is sourced from PubChem (CID 65129834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).