(2S,4R,6R)-2-(ethylsulfanylmethyl)-4,6-diphenyloxan-4-ol

C20H24O2S — CID 46224069

IUPAC(2S,4R,6R)-2-(ethylsulfanylmethyl)-4,6-diphenyloxan-4-ol
SMILESCCSC[C@@H]1C[C@@](O)(c2ccccc2)C[C@H](c2ccccc2)O1
InChIInChI=1S/C20H24O2S/c1-2-23-15-18-13-20(21,17-11-7-4-8-12-17)14-19(22-18)16-9-5-3-6-10-16/h3-12,18-19,21H,2,13-15H2,1H3/t18-,19+,20-/m0/s1
InChIKeyBVUBEKFQTZZYPI-ZCNNSNEGSA-N
MW328.48 g/mol
LogP4.55
Rot. Bonds5

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

(2S,4R,6R)-2-(ethylsulfanylmethyl)-4,6-diphenyloxan-4-ol (PubChem CID 46224069) has the molecular formula C20H24O2S and a molecular weight of 328.48 g/mol. Its IUPAC name is (2S,4R,6R)-2-(ethylsulfanylmethyl)-4,6-diphenyloxan-4-ol.

Molecular Properties

Compound Name(2S,4R,6R)-2-(ethylsulfanylmethyl)-4,6-diphenyloxan-4-ol
PubChem CID46224069
Molecular FormulaC20H24O2S
Molecular Weight328.48 g/mol
Exact Mass328.15
IUPAC Name(2S,4R,6R)-2-(ethylsulfanylmethyl)-4,6-diphenyloxan-4-ol
SMILESCCSC[C@@H]1C[C@@](O)(c2ccccc2)C[C@H](c2ccccc2)O1
InChIInChI=1S/C20H24O2S/c1-2-23-15-18-13-20(21,17-11-7-4-8-12-17)14-19(22-18)16-9-5-3-6-10-16/h3-12,18-19,21H,2,13-15H2,1H3/t18-,19+,20-/m0/s1
InChIKeyBVUBEKFQTZZYPI-ZCNNSNEGSA-N
XLogP4.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4R,6R)-2-(ethylsulfanylmethyl)-4,6-diphenyloxan-4-ol?
The IUPAC name of (2S,4R,6R)-2-(ethylsulfanylmethyl)-4,6-diphenyloxan-4-ol (CID 46224069) is (2S,4R,6R)-2-(ethylsulfanylmethyl)-4,6-diphenyloxan-4-ol.
What is the SMILES notation for (2S,4R,6R)-2-(ethylsulfanylmethyl)-4,6-diphenyloxan-4-ol?
The canonical SMILES for (2S,4R,6R)-2-(ethylsulfanylmethyl)-4,6-diphenyloxan-4-ol is CCSC[C@@H]1C[C@@](O)(c2ccccc2)C[C@H](c2ccccc2)O1.
What is the InChIKey of (2S,4R,6R)-2-(ethylsulfanylmethyl)-4,6-diphenyloxan-4-ol?
The InChIKey is BVUBEKFQTZZYPI-ZCNNSNEGSA-N. The full InChI is InChI=1S/C20H24O2S/c1-2-23-15-18-13-20(21,17-11-7-4-8-12-17)14-19(22-18)16-9-5-3-6-10-16/h3-12,18-19,21H,2,13-15H2,1H3/t18-,19+,20-/m0/s1.
What are the key properties of (2S,4R,6R)-2-(ethylsulfanylmethyl)-4,6-diphenyloxan-4-ol?
(2S,4R,6R)-2-(ethylsulfanylmethyl)-4,6-diphenyloxan-4-ol has a molecular weight of 328.48 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,6R)-2-(ethylsulfanylmethyl)-4,6-diphenyloxan-4-ol is sourced from PubChem (CID 46224069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).