(1S)-2-[2-[(2S)-2-hydroxy-2-phenylethyl]-1,3-dithian-2-yl]-1-phenylethanol

C20H24O2S2 — CID 11132156

IUPAC(1S)-2-[2-[(2S)-2-hydroxy-2-phenylethyl]-1,3-dithian-2-yl]-1-phenylethanol
SMILESO[C@@H](CC1(C[C@H](O)c2ccccc2)SCCCS1)c1ccccc1
InChIInChI=1S/C20H24O2S2/c21-18(16-8-3-1-4-9-16)14-20(23-12-7-13-24-20)15-19(22)17-10-5-2-6-11-17/h1-6,8-11,18-19,21-22H,7,12-15H2/t18-,19-/m0/s1
InChIKeyMDWIKTGFQIMHFW-OALUTQOASA-N
MW360.54 g/mol
LogP4.80
Rot. Bonds6

About (1S)-2-[2-[(2S)-2-hydroxy-2-phenylethyl]-1,3-dithian-2-yl]-1-phenylethanol

(1S)-2-[2-[(2S)-2-hydroxy-2-phenylethyl]-1,3-dithian-2-yl]-1-phenylethanol (PubChem CID 11132156) has the molecular formula C20H24O2S2 and a molecular weight of 360.54 g/mol. Its IUPAC name is (1S)-2-[2-[(2S)-2-hydroxy-2-phenylethyl]-1,3-dithian-2-yl]-1-phenylethanol.

Molecular Properties

Compound Name(1S)-2-[2-[(2S)-2-hydroxy-2-phenylethyl]-1,3-dithian-2-yl]-1-phenylethanol
PubChem CID11132156
Molecular FormulaC20H24O2S2
Molecular Weight360.54 g/mol
Exact Mass360.12
IUPAC Name(1S)-2-[2-[(2S)-2-hydroxy-2-phenylethyl]-1,3-dithian-2-yl]-1-phenylethanol
SMILESO[C@@H](CC1(C[C@H](O)c2ccccc2)SCCCS1)c1ccccc1
InChIInChI=1S/C20H24O2S2/c21-18(16-8-3-1-4-9-16)14-20(23-12-7-13-24-20)15-19(22)17-10-5-2-6-11-17/h1-6,8-11,18-19,21-22H,7,12-15H2/t18-,19-/m0/s1
InChIKeyMDWIKTGFQIMHFW-OALUTQOASA-N
XLogP4.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-[2-[(2S)-2-hydroxy-2-phenylethyl]-1,3-dithian-2-yl]-1-phenylethanol?
The IUPAC name of (1S)-2-[2-[(2S)-2-hydroxy-2-phenylethyl]-1,3-dithian-2-yl]-1-phenylethanol (CID 11132156) is (1S)-2-[2-[(2S)-2-hydroxy-2-phenylethyl]-1,3-dithian-2-yl]-1-phenylethanol.
What is the SMILES notation for (1S)-2-[2-[(2S)-2-hydroxy-2-phenylethyl]-1,3-dithian-2-yl]-1-phenylethanol?
The canonical SMILES for (1S)-2-[2-[(2S)-2-hydroxy-2-phenylethyl]-1,3-dithian-2-yl]-1-phenylethanol is O[C@@H](CC1(C[C@H](O)c2ccccc2)SCCCS1)c1ccccc1.
What is the InChIKey of (1S)-2-[2-[(2S)-2-hydroxy-2-phenylethyl]-1,3-dithian-2-yl]-1-phenylethanol?
The InChIKey is MDWIKTGFQIMHFW-OALUTQOASA-N. The full InChI is InChI=1S/C20H24O2S2/c21-18(16-8-3-1-4-9-16)14-20(23-12-7-13-24-20)15-19(22)17-10-5-2-6-11-17/h1-6,8-11,18-19,21-22H,7,12-15H2/t18-,19-/m0/s1.
What are the key properties of (1S)-2-[2-[(2S)-2-hydroxy-2-phenylethyl]-1,3-dithian-2-yl]-1-phenylethanol?
(1S)-2-[2-[(2S)-2-hydroxy-2-phenylethyl]-1,3-dithian-2-yl]-1-phenylethanol has a molecular weight of 360.54 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[2-[(2S)-2-hydroxy-2-phenylethyl]-1,3-dithian-2-yl]-1-phenylethanol is sourced from PubChem (CID 11132156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).