(1R,2S)-2-chloro-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol

C15H15ClO2S — CID 10613755

IUPAC(1R,2S)-2-chloro-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol
SMILESCc1ccc([S@@](=O)[C@@H](Cl)[C@H](O)c2ccccc2)cc1
InChIInChI=1S/C15H15ClO2S/c1-11-7-9-13(10-8-11)19(18)15(16)14(17)12-5-3-2-4-6-12/h2-10,14-15,17H,1H3/t14-,15-,19-/m1/s1
InChIKeyFBWWSLOITGPFPX-SPYBWZPUSA-N
MW294.80 g/mol
LogP3.40
Rot. Bonds4

About (1R,2S)-2-chloro-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol

(1R,2S)-2-chloro-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol (PubChem CID 10613755) has the molecular formula C15H15ClO2S and a molecular weight of 294.80 g/mol. Its IUPAC name is (1R,2S)-2-chloro-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol.

Molecular Properties

Compound Name(1R,2S)-2-chloro-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol
PubChem CID10613755
Molecular FormulaC15H15ClO2S
Molecular Weight294.80 g/mol
Exact Mass294.05
IUPAC Name(1R,2S)-2-chloro-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol
SMILESCc1ccc([S@@](=O)[C@@H](Cl)[C@H](O)c2ccccc2)cc1
InChIInChI=1S/C15H15ClO2S/c1-11-7-9-13(10-8-11)19(18)15(16)14(17)12-5-3-2-4-6-12/h2-10,14-15,17H,1H3/t14-,15-,19-/m1/s1
InChIKeyFBWWSLOITGPFPX-SPYBWZPUSA-N
XLogP3.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.80
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N,N-dimethyl-4-(4-methylphenyl)sulfinyl-3-phenylbutanamide
CID 101366875
tert-butyl (2R,3R)-3-hydroxy-2-[(R)-(4-methylphenyl)sulfinyl]-3-phenylpropanoate
CID 11132146
[(R)-(4-methylphenyl)sulfinyl-phenylmethyl]-diphenylphosphane
CID 101484176
1-(1-chloro-2-phenylethyl)sulfinyl-4-methylbenzene
CID 10923906
1-[(1S)-1-chloroethyl]sulfinyl-4-methylbenzene
CID 102275551
(1R)-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol
CID 13026508
(1S)-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol
CID 13026509
(1S,2S)-2-fluoro-2-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]-1-phenylethanol
CID 135061397
2-(benzenesulfinyl)-2-fluoro-1-phenylethanol
CID 10967379
(1R)-2-[2-(4-methylphenyl)sulfinylphenyl]-1-phenylethanol
CID 102211608
(2S)-2-chloro-1-phenylpropan-1-ol
CID 146730708
N-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylpropan-1-amine
CID 64658471

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-chloro-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol?
The IUPAC name of (1R,2S)-2-chloro-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol (CID 10613755) is (1R,2S)-2-chloro-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol.
What is the SMILES notation for (1R,2S)-2-chloro-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol?
The canonical SMILES for (1R,2S)-2-chloro-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol is Cc1ccc([S@@](=O)[C@@H](Cl)[C@H](O)c2ccccc2)cc1.
What is the InChIKey of (1R,2S)-2-chloro-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol?
The InChIKey is FBWWSLOITGPFPX-SPYBWZPUSA-N. The full InChI is InChI=1S/C15H15ClO2S/c1-11-7-9-13(10-8-11)19(18)15(16)14(17)12-5-3-2-4-6-12/h2-10,14-15,17H,1H3/t14-,15-,19-/m1/s1.
What are the key properties of (1R,2S)-2-chloro-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol?
(1R,2S)-2-chloro-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol has a molecular weight of 294.80 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-chloro-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol is sourced from PubChem (CID 10613755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).