(1R,2R)-1,2-bis(4-chlorophenyl)-2-phenylsulfanylethanol

C20H16Cl2OS — CID 16745100

IUPAC(1R,2R)-1,2-bis(4-chlorophenyl)-2-phenylsulfanylethanol
SMILESO[C@H](c1ccc(Cl)cc1)[C@H](Sc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H16Cl2OS/c21-16-10-6-14(7-11-16)19(23)20(15-8-12-17(22)13-9-15)24-18-4-2-1-3-5-18/h1-13,19-20,23H/t19-,20-/m1/s1
InChIKeyJOIOFZAKXGJRMF-WOJBJXKFSA-N
MW375.32 g/mol
LogP6.56
Rot. Bonds5

About (1R,2R)-1,2-bis(4-chlorophenyl)-2-phenylsulfanylethanol

(1R,2R)-1,2-bis(4-chlorophenyl)-2-phenylsulfanylethanol (PubChem CID 16745100) has the molecular formula C20H16Cl2OS and a molecular weight of 375.32 g/mol. Its IUPAC name is (1R,2R)-1,2-bis(4-chlorophenyl)-2-phenylsulfanylethanol.

Molecular Properties

Compound Name(1R,2R)-1,2-bis(4-chlorophenyl)-2-phenylsulfanylethanol
PubChem CID16745100
Molecular FormulaC20H16Cl2OS
Molecular Weight375.32 g/mol
Exact Mass374.03
IUPAC Name(1R,2R)-1,2-bis(4-chlorophenyl)-2-phenylsulfanylethanol
SMILESO[C@H](c1ccc(Cl)cc1)[C@H](Sc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H16Cl2OS/c21-16-10-6-14(7-11-16)19(23)20(15-8-12-17(22)13-9-15)24-18-4-2-1-3-5-18/h1-13,19-20,23H/t19-,20-/m1/s1
InChIKeyJOIOFZAKXGJRMF-WOJBJXKFSA-N
XLogP6.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.32
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-Chlorobenzyl)sulfinyl]-1,1-diphenyl-1-ethanol
CID 2765169
2-(Benzylsulfinyl)-1,1-bis(4-chlorophenyl)-1-ethanol
CID 2765180
1-(4-Chlorophenyl)-3-[(4-methylphenyl)sulfonyl]-1-propanol
CID 4328843
(4-Chlorophenyl)-(5-ethyl-2-methylsulfanylphenyl)methanol
CID 13838791
(1R,2S)-2-(4-chlorophenyl)sulfanyl-1-phenylpropan-1-ol
CID 44436340
(1S,2S)-2-(4-chlorophenyl)sulfanyl-1,2-diphenylethanol
CID 16220330
2-(4-Chlorophenyl)sulfanyl-1-(4-fluorophenyl)ethanol
CID 60714806
2,2-Bis(benzenesulfonyl)-1-(4-chlorophenyl)-2-fluoroethanol
CID 101783925
(1S,2S)-1-(4-chlorophenyl)-2-fluoro-2-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]ethanol
CID 135060805
(1R,2S)-1-(4-chlorophenyl)-2-fluoro-2-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]ethanol
CID 135061588
(E)-1-(benzenesulfonyl)-4-(4-chlorophenyl)-1-fluoro-2-phenylbut-3-en-2-ol
CID 135062247
2-(4-Chlorophenyl)sulfanyl-1,4-diphenylbutan-1-ol
CID 10992256

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1,2-bis(4-chlorophenyl)-2-phenylsulfanylethanol?
The IUPAC name of (1R,2R)-1,2-bis(4-chlorophenyl)-2-phenylsulfanylethanol (CID 16745100) is (1R,2R)-1,2-bis(4-chlorophenyl)-2-phenylsulfanylethanol.
What is the SMILES notation for (1R,2R)-1,2-bis(4-chlorophenyl)-2-phenylsulfanylethanol?
The canonical SMILES for (1R,2R)-1,2-bis(4-chlorophenyl)-2-phenylsulfanylethanol is O[C@H](c1ccc(Cl)cc1)[C@H](Sc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of (1R,2R)-1,2-bis(4-chlorophenyl)-2-phenylsulfanylethanol?
The InChIKey is JOIOFZAKXGJRMF-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H16Cl2OS/c21-16-10-6-14(7-11-16)19(23)20(15-8-12-17(22)13-9-15)24-18-4-2-1-3-5-18/h1-13,19-20,23H/t19-,20-/m1/s1.
What are the key properties of (1R,2R)-1,2-bis(4-chlorophenyl)-2-phenylsulfanylethanol?
(1R,2R)-1,2-bis(4-chlorophenyl)-2-phenylsulfanylethanol has a molecular weight of 375.32 g/mol, XLogP of 6.56, 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-bis(4-chlorophenyl)-2-phenylsulfanylethanol is sourced from PubChem (CID 16745100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).