(2S,4R,6S)-2-(ethylsulfanylmethyl)-6-methyl-4-phenyloxan-4-ol

C15H22O2S — CID 46223819

IUPAC(2S,4R,6S)-2-(ethylsulfanylmethyl)-6-methyl-4-phenyloxan-4-ol
SMILESCCSC[C@@H]1C[C@@](O)(c2ccccc2)C[C@H](C)O1
InChIInChI=1S/C15H22O2S/c1-3-18-11-14-10-15(16,9-12(2)17-14)13-7-5-4-6-8-13/h4-8,12,14,16H,3,9-11H2,1-2H3/t12-,14-,15+/m0/s1
InChIKeyCZONFANKYNQMCS-AEGPPILISA-N
MW266.41 g/mol
LogP3.19
Rot. Bonds4

About (2S,4R,6S)-2-(ethylsulfanylmethyl)-6-methyl-4-phenyloxan-4-ol

(2S,4R,6S)-2-(ethylsulfanylmethyl)-6-methyl-4-phenyloxan-4-ol (PubChem CID 46223819) has the molecular formula C15H22O2S and a molecular weight of 266.41 g/mol. Its IUPAC name is (2S,4R,6S)-2-(ethylsulfanylmethyl)-6-methyl-4-phenyloxan-4-ol.

Molecular Properties

Compound Name(2S,4R,6S)-2-(ethylsulfanylmethyl)-6-methyl-4-phenyloxan-4-ol
PubChem CID46223819
Molecular FormulaC15H22O2S
Molecular Weight266.41 g/mol
Exact Mass266.13
IUPAC Name(2S,4R,6S)-2-(ethylsulfanylmethyl)-6-methyl-4-phenyloxan-4-ol
SMILESCCSC[C@@H]1C[C@@](O)(c2ccccc2)C[C@H](C)O1
InChIInChI=1S/C15H22O2S/c1-3-18-11-14-10-15(16,9-12(2)17-14)13-7-5-4-6-8-13/h4-8,12,14,16H,3,9-11H2,1-2H3/t12-,14-,15+/m0/s1
InChIKeyCZONFANKYNQMCS-AEGPPILISA-N
XLogP3.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4R,6S)-2-(ethylsulfanylmethyl)-6-methyl-4-phenyloxan-4-ol?
The IUPAC name of (2S,4R,6S)-2-(ethylsulfanylmethyl)-6-methyl-4-phenyloxan-4-ol (CID 46223819) is (2S,4R,6S)-2-(ethylsulfanylmethyl)-6-methyl-4-phenyloxan-4-ol.
What is the SMILES notation for (2S,4R,6S)-2-(ethylsulfanylmethyl)-6-methyl-4-phenyloxan-4-ol?
The canonical SMILES for (2S,4R,6S)-2-(ethylsulfanylmethyl)-6-methyl-4-phenyloxan-4-ol is CCSC[C@@H]1C[C@@](O)(c2ccccc2)C[C@H](C)O1.
What is the InChIKey of (2S,4R,6S)-2-(ethylsulfanylmethyl)-6-methyl-4-phenyloxan-4-ol?
The InChIKey is CZONFANKYNQMCS-AEGPPILISA-N. The full InChI is InChI=1S/C15H22O2S/c1-3-18-11-14-10-15(16,9-12(2)17-14)13-7-5-4-6-8-13/h4-8,12,14,16H,3,9-11H2,1-2H3/t12-,14-,15+/m0/s1.
What are the key properties of (2S,4R,6S)-2-(ethylsulfanylmethyl)-6-methyl-4-phenyloxan-4-ol?
(2S,4R,6S)-2-(ethylsulfanylmethyl)-6-methyl-4-phenyloxan-4-ol has a molecular weight of 266.41 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,6S)-2-(ethylsulfanylmethyl)-6-methyl-4-phenyloxan-4-ol is sourced from PubChem (CID 46223819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).