(1R,2S)-3-methoxy-1-phenyl-1-phenylsulfanylpropan-2-ol

C16H18O2S — CID 46210919

IUPAC(1R,2S)-3-methoxy-1-phenyl-1-phenylsulfanylpropan-2-ol
SMILESCOC[C@H](O)[C@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C16H18O2S/c1-18-12-15(17)16(13-8-4-2-5-9-13)19-14-10-6-3-7-11-14/h2-11,15-17H,12H2,1H3/t15-,16+/m0/s1
InChIKeyFRULNGSCHBIPOW-JKSUJKDBSA-N
MW274.39 g/mol
LogP3.53
Rot. Bonds6

About (1R,2S)-3-methoxy-1-phenyl-1-phenylsulfanylpropan-2-ol

(1R,2S)-3-methoxy-1-phenyl-1-phenylsulfanylpropan-2-ol (PubChem CID 46210919) has the molecular formula C16H18O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is (1R,2S)-3-methoxy-1-phenyl-1-phenylsulfanylpropan-2-ol.

Molecular Properties

Compound Name(1R,2S)-3-methoxy-1-phenyl-1-phenylsulfanylpropan-2-ol
PubChem CID46210919
Molecular FormulaC16H18O2S
Molecular Weight274.39 g/mol
Exact Mass274.10
IUPAC Name(1R,2S)-3-methoxy-1-phenyl-1-phenylsulfanylpropan-2-ol
SMILESCOC[C@H](O)[C@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C16H18O2S/c1-18-12-15(17)16(13-8-4-2-5-9-13)19-14-10-6-3-7-11-14/h2-11,15-17H,12H2,1H3/t15-,16+/m0/s1
InChIKeyFRULNGSCHBIPOW-JKSUJKDBSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-1-cyclohexylsulfanyl-3-methoxy-1-phenylpropan-2-ol
CID 46211076
(1R,2S)-1-phenyl-1-phenylsulfanylpent-4-en-2-ol
CID 14787942
(1R,2R)-1-phenyl-1-phenylsulfanylpent-4-en-2-ol
CID 14787941
methyl (2S,3S)-2-[hydroxy(phenyl)methyl]-3-phenyl-3-phenylsulfanylpropanoate
CID 100933049
benzene;2-methoxy-1-phenylethanol
CID 174622919
(1S,2S)-2-(4-methoxyphenyl)sulfanyl-1,2-diphenylethanol
CID 101428948
(2S,3R)-2-hydroxy-3-phenyl-3-phenylsulfanylpropanoic acid
CID 11550833
(2S,3S)-2-methyl-3-phenyl-3-phenylsulfanylpropanoic acid
CID 95989478
3-amino-4-methoxy-1-phenylbutan-1-ol
CID 112704167
methyl 2-[2-hydroxy-3-(3-methoxyphenyl)sulfanyl-3-phenylpropyl]sulfanylacetate
CID 15926584
(2R)-2-[(S)-phenyl(phenylsulfanyl)methyl]hexan-1-ol
CID 11130384
methyl (2R,3R)-3-hydroxy-3-phenyl-2-phenylsulfanylpropanoate
CID 10108177

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-3-methoxy-1-phenyl-1-phenylsulfanylpropan-2-ol?
The IUPAC name of (1R,2S)-3-methoxy-1-phenyl-1-phenylsulfanylpropan-2-ol (CID 46210919) is (1R,2S)-3-methoxy-1-phenyl-1-phenylsulfanylpropan-2-ol.
What is the SMILES notation for (1R,2S)-3-methoxy-1-phenyl-1-phenylsulfanylpropan-2-ol?
The canonical SMILES for (1R,2S)-3-methoxy-1-phenyl-1-phenylsulfanylpropan-2-ol is COC[C@H](O)[C@H](Sc1ccccc1)c1ccccc1.
What is the InChIKey of (1R,2S)-3-methoxy-1-phenyl-1-phenylsulfanylpropan-2-ol?
The InChIKey is FRULNGSCHBIPOW-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H18O2S/c1-18-12-15(17)16(13-8-4-2-5-9-13)19-14-10-6-3-7-11-14/h2-11,15-17H,12H2,1H3/t15-,16+/m0/s1.
What are the key properties of (1R,2S)-3-methoxy-1-phenyl-1-phenylsulfanylpropan-2-ol?
(1R,2S)-3-methoxy-1-phenyl-1-phenylsulfanylpropan-2-ol has a molecular weight of 274.39 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-3-methoxy-1-phenyl-1-phenylsulfanylpropan-2-ol is sourced from PubChem (CID 46210919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).