(1R,2S)-1-(4-chlorophenyl)-2-phenylsulfanylpropan-1-ol

C15H15ClOS — CID 101161126

IUPAC(1R,2S)-1-(4-chlorophenyl)-2-phenylsulfanylpropan-1-ol
SMILESC[C@H](Sc1ccccc1)[C@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClOS/c1-11(18-14-5-3-2-4-6-14)15(17)12-7-9-13(16)10-8-12/h2-11,15,17H,1H3/t11-,15-/m0/s1
InChIKeyAKBCZVAIZRBNSP-NHYWBVRUSA-N
MW278.80 g/mol
LogP4.55
Rot. Bonds4

About (1R,2S)-1-(4-chlorophenyl)-2-phenylsulfanylpropan-1-ol

(1R,2S)-1-(4-chlorophenyl)-2-phenylsulfanylpropan-1-ol (PubChem CID 101161126) has the molecular formula C15H15ClOS and a molecular weight of 278.80 g/mol. Its IUPAC name is (1R,2S)-1-(4-chlorophenyl)-2-phenylsulfanylpropan-1-ol.

Molecular Properties

Compound Name(1R,2S)-1-(4-chlorophenyl)-2-phenylsulfanylpropan-1-ol
PubChem CID101161126
Molecular FormulaC15H15ClOS
Molecular Weight278.80 g/mol
Exact Mass278.05
IUPAC Name(1R,2S)-1-(4-chlorophenyl)-2-phenylsulfanylpropan-1-ol
SMILESC[C@H](Sc1ccccc1)[C@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClOS/c1-11(18-14-5-3-2-4-6-14)15(17)12-7-9-13(16)10-8-12/h2-11,15,17H,1H3/t11-,15-/m0/s1
InChIKeyAKBCZVAIZRBNSP-NHYWBVRUSA-N
XLogP4.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.80
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S)-1-(4-chlorophenyl)-2-methyl-3-phenylsulfanylbut-3-en-1-ol
CID 101257190
2-(4-chlorophenyl)sulfanyl-1,2-diphenylethanol
CID 146163389
(2R)-1-(4-chlorophenyl)propane-1,2-diol
CID 132594901
1-chloro-4-[fluoro(phenylsulfanyl)methyl]benzene
CID 10944930
1,2-bis(4-chlorophenyl)ethane-1,2-diol
CID 588012
acetic acid;1,2-bis(4-chlorophenyl)ethane-1,2-diol
CID 71336866
2-[(4-chlorophenyl)-phenylsulfanylmethyl]-3-methylbutanal
CID 3847324
(1R,2R)-1-(4-chlorophenyl)-2-methylbut-3-en-1-ol
CID 14870787
(2R,3R)-3-(4-chlorophenyl)-3-hydroxy-2-methylpropanoic acid
CID 68768818
3-(4-chlorophenyl)-3-phenylsulfanylpropanoyl chloride
CID 10064016
(2S,3R)-3-(4-chlorophenyl)-N,N-diethyl-2-hydroxy-3-phenylsulfanylpropanamide
CID 134930455
1-(4-chlorophenyl)-2-(methylamino)propan-1-ol
CID 58497080

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-(4-chlorophenyl)-2-phenylsulfanylpropan-1-ol?
The IUPAC name of (1R,2S)-1-(4-chlorophenyl)-2-phenylsulfanylpropan-1-ol (CID 101161126) is (1R,2S)-1-(4-chlorophenyl)-2-phenylsulfanylpropan-1-ol.
What is the SMILES notation for (1R,2S)-1-(4-chlorophenyl)-2-phenylsulfanylpropan-1-ol?
The canonical SMILES for (1R,2S)-1-(4-chlorophenyl)-2-phenylsulfanylpropan-1-ol is C[C@H](Sc1ccccc1)[C@H](O)c1ccc(Cl)cc1.
What is the InChIKey of (1R,2S)-1-(4-chlorophenyl)-2-phenylsulfanylpropan-1-ol?
The InChIKey is AKBCZVAIZRBNSP-NHYWBVRUSA-N. The full InChI is InChI=1S/C15H15ClOS/c1-11(18-14-5-3-2-4-6-14)15(17)12-7-9-13(16)10-8-12/h2-11,15,17H,1H3/t11-,15-/m0/s1.
What are the key properties of (1R,2S)-1-(4-chlorophenyl)-2-phenylsulfanylpropan-1-ol?
(1R,2S)-1-(4-chlorophenyl)-2-phenylsulfanylpropan-1-ol has a molecular weight of 278.80 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-(4-chlorophenyl)-2-phenylsulfanylpropan-1-ol is sourced from PubChem (CID 101161126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).