(1R,2R)-1,2-dinaphthalen-2-yl-2-phenylsulfanylethanol

C28H22OS — CID 102325173

IUPAC(1R,2R)-1,2-dinaphthalen-2-yl-2-phenylsulfanylethanol
SMILESO[C@H](c1ccc2ccccc2c1)[C@H](Sc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C28H22OS/c29-27(24-16-14-20-8-4-6-10-22(20)18-24)28(30-26-12-2-1-3-13-26)25-17-15-21-9-5-7-11-23(21)19-25/h1-19,27-29H/t27-,28-/m1/s1
InChIKeyMEZWIYZZMFYIAB-VSGBNLITSA-N
MW406.55 g/mol
LogP7.56
Rot. Bonds5

About (1R,2R)-1,2-dinaphthalen-2-yl-2-phenylsulfanylethanol

(1R,2R)-1,2-dinaphthalen-2-yl-2-phenylsulfanylethanol (PubChem CID 102325173) has the molecular formula C28H22OS and a molecular weight of 406.55 g/mol. Its IUPAC name is (1R,2R)-1,2-dinaphthalen-2-yl-2-phenylsulfanylethanol.

Molecular Properties

Compound Name(1R,2R)-1,2-dinaphthalen-2-yl-2-phenylsulfanylethanol
PubChem CID102325173
Molecular FormulaC28H22OS
Molecular Weight406.55 g/mol
Exact Mass406.14
IUPAC Name(1R,2R)-1,2-dinaphthalen-2-yl-2-phenylsulfanylethanol
SMILESO[C@H](c1ccc2ccccc2c1)[C@H](Sc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C28H22OS/c29-27(24-16-14-20-8-4-6-10-22(20)18-24)28(30-26-12-2-1-3-13-26)25-17-15-21-9-5-7-11-23(21)19-25/h1-19,27-29H/t27-,28-/m1/s1
InChIKeyMEZWIYZZMFYIAB-VSGBNLITSA-N
XLogP7.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.55
LogP ≤ 57.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1,2-dinaphthalen-2-yl-2-phenylsulfanylethanol?
The IUPAC name of (1R,2R)-1,2-dinaphthalen-2-yl-2-phenylsulfanylethanol (CID 102325173) is (1R,2R)-1,2-dinaphthalen-2-yl-2-phenylsulfanylethanol.
What is the SMILES notation for (1R,2R)-1,2-dinaphthalen-2-yl-2-phenylsulfanylethanol?
The canonical SMILES for (1R,2R)-1,2-dinaphthalen-2-yl-2-phenylsulfanylethanol is O[C@H](c1ccc2ccccc2c1)[C@H](Sc1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of (1R,2R)-1,2-dinaphthalen-2-yl-2-phenylsulfanylethanol?
The InChIKey is MEZWIYZZMFYIAB-VSGBNLITSA-N. The full InChI is InChI=1S/C28H22OS/c29-27(24-16-14-20-8-4-6-10-22(20)18-24)28(30-26-12-2-1-3-13-26)25-17-15-21-9-5-7-11-23(21)19-25/h1-19,27-29H/t27-,28-/m1/s1.
What are the key properties of (1R,2R)-1,2-dinaphthalen-2-yl-2-phenylsulfanylethanol?
(1R,2R)-1,2-dinaphthalen-2-yl-2-phenylsulfanylethanol has a molecular weight of 406.55 g/mol, XLogP of 7.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1,2-dinaphthalen-2-yl-2-phenylsulfanylethanol is sourced from PubChem (CID 102325173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).