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

C20H23ClO2S — CID 46224073

IUPAC(2R,4R,6S)-2-(4-chlorophenyl)-6-(ethylsulfanylmethyl)-4-phenyloxan-4-ol
SMILESCCSC[C@@H]1C[C@@](O)(c2ccccc2)C[C@H](c2ccc(Cl)cc2)O1
InChIInChI=1S/C20H23ClO2S/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
InChIKeyFPGNAQGJVPLCGL-ZCNNSNEGSA-N
MW362.92 g/mol
LogP5.20
Rot. Bonds5

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

(2R,4R,6S)-2-(4-chlorophenyl)-6-(ethylsulfanylmethyl)-4-phenyloxan-4-ol (PubChem CID 46224073) has the molecular formula C20H23ClO2S and a molecular weight of 362.92 g/mol. Its IUPAC name is (2R,4R,6S)-2-(4-chlorophenyl)-6-(ethylsulfanylmethyl)-4-phenyloxan-4-ol.

Molecular Properties

Compound Name(2R,4R,6S)-2-(4-chlorophenyl)-6-(ethylsulfanylmethyl)-4-phenyloxan-4-ol
PubChem CID46224073
Molecular FormulaC20H23ClO2S
Molecular Weight362.92 g/mol
Exact Mass362.11
IUPAC Name(2R,4R,6S)-2-(4-chlorophenyl)-6-(ethylsulfanylmethyl)-4-phenyloxan-4-ol
SMILESCCSC[C@@H]1C[C@@](O)(c2ccccc2)C[C@H](c2ccc(Cl)cc2)O1
InChIInChI=1S/C20H23ClO2S/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
InChIKeyFPGNAQGJVPLCGL-ZCNNSNEGSA-N
XLogP5.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.92
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4R,6S)-2-(4-chlorophenyl)-6-(ethylsulfanylmethyl)-4-phenyloxan-4-ol?
The IUPAC name of (2R,4R,6S)-2-(4-chlorophenyl)-6-(ethylsulfanylmethyl)-4-phenyloxan-4-ol (CID 46224073) is (2R,4R,6S)-2-(4-chlorophenyl)-6-(ethylsulfanylmethyl)-4-phenyloxan-4-ol.
What is the SMILES notation for (2R,4R,6S)-2-(4-chlorophenyl)-6-(ethylsulfanylmethyl)-4-phenyloxan-4-ol?
The canonical SMILES for (2R,4R,6S)-2-(4-chlorophenyl)-6-(ethylsulfanylmethyl)-4-phenyloxan-4-ol is CCSC[C@@H]1C[C@@](O)(c2ccccc2)C[C@H](c2ccc(Cl)cc2)O1.
What is the InChIKey of (2R,4R,6S)-2-(4-chlorophenyl)-6-(ethylsulfanylmethyl)-4-phenyloxan-4-ol?
The InChIKey is FPGNAQGJVPLCGL-ZCNNSNEGSA-N. The full InChI is InChI=1S/C20H23ClO2S/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 (2R,4R,6S)-2-(4-chlorophenyl)-6-(ethylsulfanylmethyl)-4-phenyloxan-4-ol?
(2R,4R,6S)-2-(4-chlorophenyl)-6-(ethylsulfanylmethyl)-4-phenyloxan-4-ol has a molecular weight of 362.92 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,6S)-2-(4-chlorophenyl)-6-(ethylsulfanylmethyl)-4-phenyloxan-4-ol is sourced from PubChem (CID 46224073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).