1-(2,4-dimethoxyphenyl)-2-phenylsulfanylethanol

C16H18O3S — CID 65141920

IUPAC1-(2,4-dimethoxyphenyl)-2-phenylsulfanylethanol
SMILESCOc1ccc(C(O)CSc2ccccc2)c(OC)c1
InChIInChI=1S/C16H18O3S/c1-18-12-8-9-14(16(10-12)19-2)15(17)11-20-13-6-4-3-5-7-13/h3-10,15,17H,11H2,1-2H3
InChIKeyQLRSZETZIMTRAO-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.53
Rot. Bonds6

About 1-(2,4-dimethoxyphenyl)-2-phenylsulfanylethanol

1-(2,4-dimethoxyphenyl)-2-phenylsulfanylethanol (PubChem CID 65141920) has the molecular formula C16H18O3S and a molecular weight of 290.38 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-2-phenylsulfanylethanol.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-2-phenylsulfanylethanol
PubChem CID65141920
Molecular FormulaC16H18O3S
Molecular Weight290.38 g/mol
Exact Mass290.10
IUPAC Name1-(2,4-dimethoxyphenyl)-2-phenylsulfanylethanol
SMILESCOc1ccc(C(O)CSc2ccccc2)c(OC)c1
InChIInChI=1S/C16H18O3S/c1-18-12-8-9-14(16(10-12)19-2)15(17)11-20-13-6-4-3-5-7-13/h3-10,15,17H,11H2,1-2H3
InChIKeyQLRSZETZIMTRAO-UHFFFAOYSA-N
XLogP3.53
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethoxyphenyl)-2-propan-2-ylsulfanylethanol
CID 65131405
1-(5-chloro-2-methoxyphenyl)-2-phenylsulfanylethanol
CID 65141873
(1R)-1-[4-methoxy-2-(2-phenylsulfanylethoxy)phenyl]ethanol
CID 82003434
(4R)-4-(2,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 131874680
3-(2,4-dimethoxyphenyl)-3-hydroxypropanenitrile
CID 5163746
1-(2,4-dimethoxyphenyl)-4-methylpentan-1-ol
CID 61088835
1-(2,4-dimethoxyphenyl)-3-methylbut-3-en-1-ol
CID 115816972
4-amino-1-(2,4-dimethoxyphenyl)butan-1-ol
CID 112507580
2-(4-benzhydrylpiperazin-1-yl)-1-(2,4-dimethoxyphenyl)ethanol
CID 10071478
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
1-(2,4-dimethoxyphenyl)-3-methylpentan-1-ol
CID 65150825

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-2-phenylsulfanylethanol?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-2-phenylsulfanylethanol (CID 65141920) is 1-(2,4-dimethoxyphenyl)-2-phenylsulfanylethanol.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-2-phenylsulfanylethanol?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-2-phenylsulfanylethanol is COc1ccc(C(O)CSc2ccccc2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-2-phenylsulfanylethanol?
The InChIKey is QLRSZETZIMTRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3S/c1-18-12-8-9-14(16(10-12)19-2)15(17)11-20-13-6-4-3-5-7-13/h3-10,15,17H,11H2,1-2H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-2-phenylsulfanylethanol?
1-(2,4-dimethoxyphenyl)-2-phenylsulfanylethanol has a molecular weight of 290.38 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-2-phenylsulfanylethanol is sourced from PubChem (CID 65141920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).