2-[(S)-(4-methoxyphenyl)sulfinyl]-1,1-diphenylethanol

C21H20O3S — CID 11864321

IUPAC2-[(S)-(4-methoxyphenyl)sulfinyl]-1,1-diphenylethanol
SMILESCOc1ccc([S@@](=O)CC(O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H20O3S/c1-24-19-12-14-20(15-13-19)25(23)16-21(22,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,22H,16H2,1H3/t25-/m0/s1
InChIKeyPLLNSUJVNFMBGI-VWLOTQADSA-N
MW352.46 g/mol
LogP3.74
Rot. Bonds6

About 2-[(S)-(4-methoxyphenyl)sulfinyl]-1,1-diphenylethanol

2-[(S)-(4-methoxyphenyl)sulfinyl]-1,1-diphenylethanol (PubChem CID 11864321) has the molecular formula C21H20O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-[(S)-(4-methoxyphenyl)sulfinyl]-1,1-diphenylethanol.

Molecular Properties

Compound Name2-[(S)-(4-methoxyphenyl)sulfinyl]-1,1-diphenylethanol
PubChem CID11864321
Molecular FormulaC21H20O3S
Molecular Weight352.46 g/mol
Exact Mass352.11
IUPAC Name2-[(S)-(4-methoxyphenyl)sulfinyl]-1,1-diphenylethanol
SMILESCOc1ccc([S@@](=O)CC(O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H20O3S/c1-24-19-12-14-20(15-13-19)25(23)16-21(22,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,22H,16H2,1H3/t25-/m0/s1
InChIKeyPLLNSUJVNFMBGI-VWLOTQADSA-N
XLogP3.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-4-[[(R)-phenylsulfinyl]methyl]benzene
CID 40517522
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
2-(4-methoxyphenyl)sulfanyl-1,1-diphenylethanol
CID 2767182
2-(4-methoxyanilino)-1,1-diphenylethanol
CID 101160453
1,1-bis(4-methoxyphenyl)-1-phenylpropane-2-sulfinic acid
CID 71236406
1-(1-deuterio-1-protio(113C)ethyl)sulfinyl-4-methoxybenzene
CID 58500304
[2-hydroxy-2,2-bis(4-methoxyphenyl)ethyl] hydrogen sulfite
CID 59966678
4-[(4-methoxyphenyl)sulfinylmethyl]benzoic acid
CID 60710231
N-[4-[3,3,3-trifluoro-2-hydroxy-2-(4-methoxyphenyl)propyl]sulfinylphenyl]acetamide
CID 166447687
1-hydroxy-1-(4-methoxyphenyl)-1-phenylpropan-2-one
CID 141100176
1-(4-methoxyphenoxy)-2-phenylpropan-2-ol
CID 62373674
[(2S)-2-(4-fluorophenyl)-2-hydroxy-2-phenylethyl]-[(4-methoxyphenyl)methyl]azanium
CID 7036971

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-(4-methoxyphenyl)sulfinyl]-1,1-diphenylethanol?
The IUPAC name of 2-[(S)-(4-methoxyphenyl)sulfinyl]-1,1-diphenylethanol (CID 11864321) is 2-[(S)-(4-methoxyphenyl)sulfinyl]-1,1-diphenylethanol.
What is the SMILES notation for 2-[(S)-(4-methoxyphenyl)sulfinyl]-1,1-diphenylethanol?
The canonical SMILES for 2-[(S)-(4-methoxyphenyl)sulfinyl]-1,1-diphenylethanol is COc1ccc([S@@](=O)CC(O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-[(S)-(4-methoxyphenyl)sulfinyl]-1,1-diphenylethanol?
The InChIKey is PLLNSUJVNFMBGI-VWLOTQADSA-N. The full InChI is InChI=1S/C21H20O3S/c1-24-19-12-14-20(15-13-19)25(23)16-21(22,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,22H,16H2,1H3/t25-/m0/s1.
What are the key properties of 2-[(S)-(4-methoxyphenyl)sulfinyl]-1,1-diphenylethanol?
2-[(S)-(4-methoxyphenyl)sulfinyl]-1,1-diphenylethanol has a molecular weight of 352.46 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-(4-methoxyphenyl)sulfinyl]-1,1-diphenylethanol is sourced from PubChem (CID 11864321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).