(1R,2S)-1-cyclohexylsulfanyl-3-methoxy-1-phenylpropan-2-ol

C16H24O2S — CID 46211076

IUPAC(1R,2S)-1-cyclohexylsulfanyl-3-methoxy-1-phenylpropan-2-ol
SMILESCOC[C@H](O)[C@H](SC1CCCCC1)c1ccccc1
InChIInChI=1S/C16H24O2S/c1-18-12-15(17)16(13-8-4-2-5-9-13)19-14-10-6-3-7-11-14/h2,4-5,8-9,14-17H,3,6-7,10-12H2,1H3/t15-,16+/m0/s1
InChIKeyZUGNFUWETIVMGN-JKSUJKDBSA-N
MW280.43 g/mol
LogP3.80
Rot. Bonds6

About (1R,2S)-1-cyclohexylsulfanyl-3-methoxy-1-phenylpropan-2-ol

(1R,2S)-1-cyclohexylsulfanyl-3-methoxy-1-phenylpropan-2-ol (PubChem CID 46211076) has the molecular formula C16H24O2S and a molecular weight of 280.43 g/mol. Its IUPAC name is (1R,2S)-1-cyclohexylsulfanyl-3-methoxy-1-phenylpropan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-cyclohexylsulfanyl-3-methoxy-1-phenylpropan-2-ol
PubChem CID46211076
Molecular FormulaC16H24O2S
Molecular Weight280.43 g/mol
Exact Mass280.15
IUPAC Name(1R,2S)-1-cyclohexylsulfanyl-3-methoxy-1-phenylpropan-2-ol
SMILESCOC[C@H](O)[C@H](SC1CCCCC1)c1ccccc1
InChIInChI=1S/C16H24O2S/c1-18-12-15(17)16(13-8-4-2-5-9-13)19-14-10-6-3-7-11-14/h2,4-5,8-9,14-17H,3,6-7,10-12H2,1H3/t15-,16+/m0/s1
InChIKeyZUGNFUWETIVMGN-JKSUJKDBSA-N
XLogP3.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-cyclohexylsulfanyl-3-methoxy-1-phenylpropan-2-ol?
The IUPAC name of (1R,2S)-1-cyclohexylsulfanyl-3-methoxy-1-phenylpropan-2-ol (CID 46211076) is (1R,2S)-1-cyclohexylsulfanyl-3-methoxy-1-phenylpropan-2-ol.
What is the SMILES notation for (1R,2S)-1-cyclohexylsulfanyl-3-methoxy-1-phenylpropan-2-ol?
The canonical SMILES for (1R,2S)-1-cyclohexylsulfanyl-3-methoxy-1-phenylpropan-2-ol is COC[C@H](O)[C@H](SC1CCCCC1)c1ccccc1.
What is the InChIKey of (1R,2S)-1-cyclohexylsulfanyl-3-methoxy-1-phenylpropan-2-ol?
The InChIKey is ZUGNFUWETIVMGN-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H24O2S/c1-18-12-15(17)16(13-8-4-2-5-9-13)19-14-10-6-3-7-11-14/h2,4-5,8-9,14-17H,3,6-7,10-12H2,1H3/t15-,16+/m0/s1.
What are the key properties of (1R,2S)-1-cyclohexylsulfanyl-3-methoxy-1-phenylpropan-2-ol?
(1R,2S)-1-cyclohexylsulfanyl-3-methoxy-1-phenylpropan-2-ol has a molecular weight of 280.43 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-cyclohexylsulfanyl-3-methoxy-1-phenylpropan-2-ol is sourced from PubChem (CID 46211076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).