2-(benzylsulfinyl)-1,1-diphenyl-1-ethanol
C₂₁H₂₀O₂S·336.400 g/mol·CID 2765160
IUPAC: 2-benzylsulfinyl-1,1-diphenylethanol
Also known as: 2-benzylsulfinyl-1,1-diphenylethanol, 251307-47-8, 1,1-diphenyl-2-phenylmethanesulfinylethan-1-ol, MLS000325666, Oprea1_112868 (+6 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
336.400g/mol
Exact Mass
336.118401Da
Monoisotopic Mass
336.118401Da
XLogP
3.2
Polar Surface Area
56.5Ų
Complexity
373
Formal Charge
0
H-Bond Donors
1
H-Bond Acceptors
3
Rotatable Bonds
6
Heavy Atoms
24
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 336.4 g/mol
MW ≤ 500
✓ 3.2
LogP ≤ 5
✓ 1
H-bond donors ≤ 5
✓ 3
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C21H20O2S/c22-21(19-12-6-2-7-13-19,20-14-8-3-9-15-20)17-24(23)16-18-10-4-1-5-11-18/h1-15,22H,16-17H2
Isomers8 compounds with formula C₂₁H₂₀O₂S
1,2-dimethoxy-4-[phenyl(phenylsulfanyl)methyl]benzene
CID 3697241 · 336.4 g/mol
1-(2-benzylsulfanylethoxy)-4-phenoxybenzene
CID 11002213 · 336.4 g/mol
[3,5-bis(phenylmethoxy)phenyl]methanethiol
CID 11688615 · 336.4 g/mol
4-methoxy-1-methyl-2-[2-(4-methylphenyl)sulfinylphenyl]benzene
CID 138683229 · 336.4 g/mol
4-methoxy-1-methyl-2-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]benzene
CID 138683230 · 336.4 g/mol
propanoate;triphenylsulfanium
CID 22995017 · 336.4 g/mol
1,3,5-trimethyl-2-(4-phenylphenyl)sulfonylbenzene
CID 593018 · 336.4 g/mol
7-(benzenesulfonyl)nona-7,8-dien-1-ynylbenzene
CID 12046701 · 336.4 g/mol