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

C20H23FO2S — CID 46224071

IUPAC(2S,4R,6R)-2-(ethylsulfanylmethyl)-6-(4-fluorophenyl)-4-phenyloxan-4-ol
SMILESCCSC[C@@H]1C[C@@](O)(c2ccccc2)C[C@H](c2ccc(F)cc2)O1
InChIInChI=1S/C20H23FO2S/c1-2-24-14-18-12-20(22,16-6-4-3-5-7-16)13-19(23-18)15-8-10-17(21)11-9-15/h3-11,18-19,22H,2,12-14H2,1H3/t18-,19+,20-/m0/s1
InChIKeyCBOPNSRBBJCEGV-ZCNNSNEGSA-N
MW346.47 g/mol
LogP4.69
Rot. Bonds5

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

(2S,4R,6R)-2-(ethylsulfanylmethyl)-6-(4-fluorophenyl)-4-phenyloxan-4-ol (PubChem CID 46224071) has the molecular formula C20H23FO2S and a molecular weight of 346.47 g/mol. Its IUPAC name is (2S,4R,6R)-2-(ethylsulfanylmethyl)-6-(4-fluorophenyl)-4-phenyloxan-4-ol.

Molecular Properties

Compound Name(2S,4R,6R)-2-(ethylsulfanylmethyl)-6-(4-fluorophenyl)-4-phenyloxan-4-ol
PubChem CID46224071
Molecular FormulaC20H23FO2S
Molecular Weight346.47 g/mol
Exact Mass346.14
IUPAC Name(2S,4R,6R)-2-(ethylsulfanylmethyl)-6-(4-fluorophenyl)-4-phenyloxan-4-ol
SMILESCCSC[C@@H]1C[C@@](O)(c2ccccc2)C[C@H](c2ccc(F)cc2)O1
InChIInChI=1S/C20H23FO2S/c1-2-24-14-18-12-20(22,16-6-4-3-5-7-16)13-19(23-18)15-8-10-17(21)11-9-15/h3-11,18-19,22H,2,12-14H2,1H3/t18-,19+,20-/m0/s1
InChIKeyCBOPNSRBBJCEGV-ZCNNSNEGSA-N
XLogP4.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,4R,6R)-2-(ethylsulfanylmethyl)-6-(4-fluorophenyl)-4-phenyloxan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,4R,6R)-2-(ethylsulfanylmethyl)-6-(4-fluorophenyl)-4-phenyloxan-4-ol?
The IUPAC name of (2S,4R,6R)-2-(ethylsulfanylmethyl)-6-(4-fluorophenyl)-4-phenyloxan-4-ol (CID 46224071) is (2S,4R,6R)-2-(ethylsulfanylmethyl)-6-(4-fluorophenyl)-4-phenyloxan-4-ol.
What is the SMILES notation for (2S,4R,6R)-2-(ethylsulfanylmethyl)-6-(4-fluorophenyl)-4-phenyloxan-4-ol?
The canonical SMILES for (2S,4R,6R)-2-(ethylsulfanylmethyl)-6-(4-fluorophenyl)-4-phenyloxan-4-ol is CCSC[C@@H]1C[C@@](O)(c2ccccc2)C[C@H](c2ccc(F)cc2)O1.
What is the InChIKey of (2S,4R,6R)-2-(ethylsulfanylmethyl)-6-(4-fluorophenyl)-4-phenyloxan-4-ol?
The InChIKey is CBOPNSRBBJCEGV-ZCNNSNEGSA-N. The full InChI is InChI=1S/C20H23FO2S/c1-2-24-14-18-12-20(22,16-6-4-3-5-7-16)13-19(23-18)15-8-10-17(21)11-9-15/h3-11,18-19,22H,2,12-14H2,1H3/t18-,19+,20-/m0/s1.
What are the key properties of (2S,4R,6R)-2-(ethylsulfanylmethyl)-6-(4-fluorophenyl)-4-phenyloxan-4-ol?
(2S,4R,6R)-2-(ethylsulfanylmethyl)-6-(4-fluorophenyl)-4-phenyloxan-4-ol has a molecular weight of 346.47 g/mol, XLogP of 4.69, 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)-6-(4-fluorophenyl)-4-phenyloxan-4-ol is sourced from PubChem (CID 46224071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).