1-(2-methoxyphenyl)-3-phenylsulfanylpropan-2-ol

C16H18O2S — CID 65142108

IUPAC1-(2-methoxyphenyl)-3-phenylsulfanylpropan-2-ol
SMILESCOc1ccccc1CC(O)CSc1ccccc1
InChIInChI=1S/C16H18O2S/c1-18-16-10-6-5-7-13(16)11-14(17)12-19-15-8-3-2-4-9-15/h2-10,14,17H,11-12H2,1H3
InChIKeyLJUJKWKNNINAQB-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.39
Rot. Bonds6

About 1-(2-methoxyphenyl)-3-phenylsulfanylpropan-2-ol

1-(2-methoxyphenyl)-3-phenylsulfanylpropan-2-ol (PubChem CID 65142108) has the molecular formula C16H18O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-phenylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-phenylsulfanylpropan-2-ol
PubChem CID65142108
Molecular FormulaC16H18O2S
Molecular Weight274.39 g/mol
Exact Mass274.10
IUPAC Name1-(2-methoxyphenyl)-3-phenylsulfanylpropan-2-ol
SMILESCOc1ccccc1CC(O)CSc1ccccc1
InChIInChI=1S/C16H18O2S/c1-18-16-10-6-5-7-13(16)11-14(17)12-19-15-8-3-2-4-9-15/h2-10,14,17H,11-12H2,1H3
InChIKeyLJUJKWKNNINAQB-UHFFFAOYSA-N
XLogP3.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine
CID 65142417
(2R)-1-(2-methoxyphenyl)propan-2-ol
CID 6951555
1-(2-methoxyphenyl)-4,4-dimethylpentan-2-ol
CID 63018076
1-(2-chlorophenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 61261227
1-(2-methoxyphenyl)-3-(methylamino)propan-2-ol
CID 64983172
1-(dimethylamino)-3-(2-methoxyphenyl)propan-2-ol
CID 79088057
1-(2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 61263658
1-(4-fluorophenyl)sulfanyl-3-(2-methoxyphenyl)propan-2-amine
CID 66070984
1-methoxy-2-(2-phenylsulfanylethyl)benzene
CID 101404831
(2R)-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-2-ol;4,4,4-trifluoro-1-(2-methoxyphenyl)butan-2-ol
CID 158657667
1-(2-methoxyphenyl)hexan-2-ol
CID 62607835
1-(2-methoxyphenyl)-5-phenylpentan-2-ol
CID 62606153

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-phenylsulfanylpropan-2-ol?
The IUPAC name of 1-(2-methoxyphenyl)-3-phenylsulfanylpropan-2-ol (CID 65142108) is 1-(2-methoxyphenyl)-3-phenylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-phenylsulfanylpropan-2-ol?
The canonical SMILES for 1-(2-methoxyphenyl)-3-phenylsulfanylpropan-2-ol is COc1ccccc1CC(O)CSc1ccccc1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-phenylsulfanylpropan-2-ol?
The InChIKey is LJUJKWKNNINAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2S/c1-18-16-10-6-5-7-13(16)11-14(17)12-19-15-8-3-2-4-9-15/h2-10,14,17H,11-12H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-3-phenylsulfanylpropan-2-ol?
1-(2-methoxyphenyl)-3-phenylsulfanylpropan-2-ol has a molecular weight of 274.39 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-phenylsulfanylpropan-2-ol is sourced from PubChem (CID 65142108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).