(1R)-2-[2-(4-methylphenyl)sulfinylphenyl]-1-phenylethanol

C21H20O2S — CID 102211608

IUPAC(1R)-2-[2-(4-methylphenyl)sulfinylphenyl]-1-phenylethanol
SMILESCc1ccc(S(=O)c2ccccc2C[C@@H](O)c2ccccc2)cc1
InChIInChI=1S/C21H20O2S/c1-16-11-13-19(14-12-16)24(23)21-10-6-5-9-18(21)15-20(22)17-7-3-2-4-8-17/h2-14,20,22H,15H2,1H3/t20-,24?/m1/s1
InChIKeyXPOBGXCHDJTMMV-CGHJUBPDSA-N
MW336.46 g/mol
LogP4.44
Rot. Bonds5

About (1R)-2-[2-(4-methylphenyl)sulfinylphenyl]-1-phenylethanol

(1R)-2-[2-(4-methylphenyl)sulfinylphenyl]-1-phenylethanol (PubChem CID 102211608) has the molecular formula C21H20O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is (1R)-2-[2-(4-methylphenyl)sulfinylphenyl]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[2-(4-methylphenyl)sulfinylphenyl]-1-phenylethanol
PubChem CID102211608
Molecular FormulaC21H20O2S
Molecular Weight336.46 g/mol
Exact Mass336.12
IUPAC Name(1R)-2-[2-(4-methylphenyl)sulfinylphenyl]-1-phenylethanol
SMILESCc1ccc(S(=O)c2ccccc2C[C@@H](O)c2ccccc2)cc1
InChIInChI=1S/C21H20O2S/c1-16-11-13-19(14-12-16)24(23)21-10-6-5-9-18(21)15-20(22)17-7-3-2-4-8-17/h2-14,20,22H,15H2,1H3/t20-,24?/m1/s1
InChIKeyXPOBGXCHDJTMMV-CGHJUBPDSA-N
XLogP4.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol
CID 13026508
trimethyl-[[2-(4-methylphenyl)sulfinylphenyl]methyl]silane
CID 85436146
(1S)-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol
CID 13026509
1-(4-methylphenyl)sulfinyl-2-propylbenzene
CID 85436148
(1S,2S)-2-fluoro-2-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]-1-phenylethanol
CID 135061397
(1R,2S)-2-chloro-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol
CID 10613755
[(1R)-3-[2-(4-methylphenyl)sulfinylanilino]-3-oxo-1-phenylpropyl] acetate
CID 162399078
(3R)-2-iodo-3-[[2-[(R)-(4-methylphenyl)sulfinyl]phenyl]methyl]pent-1-en-3-ol
CID 42624545
1-[2-(benzenesulfinyl)phenyl]-N-methylpropan-2-amine;but-2-enedioic acid
CID 3080276
1-[(1R)-1-bromoethyl]-2-(4-methylphenyl)sulfinylbenzene
CID 102282736
(3S)-4-methyl-2-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]pent-1-en-3-ol
CID 25216070
(2Z)-2-[(4-methylphenyl)sulfinylmethylidene]-1-phenylheptan-1-ol
CID 177426448

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[2-(4-methylphenyl)sulfinylphenyl]-1-phenylethanol?
The IUPAC name of (1R)-2-[2-(4-methylphenyl)sulfinylphenyl]-1-phenylethanol (CID 102211608) is (1R)-2-[2-(4-methylphenyl)sulfinylphenyl]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[2-(4-methylphenyl)sulfinylphenyl]-1-phenylethanol?
The canonical SMILES for (1R)-2-[2-(4-methylphenyl)sulfinylphenyl]-1-phenylethanol is Cc1ccc(S(=O)c2ccccc2C[C@@H](O)c2ccccc2)cc1.
What is the InChIKey of (1R)-2-[2-(4-methylphenyl)sulfinylphenyl]-1-phenylethanol?
The InChIKey is XPOBGXCHDJTMMV-CGHJUBPDSA-N. The full InChI is InChI=1S/C21H20O2S/c1-16-11-13-19(14-12-16)24(23)21-10-6-5-9-18(21)15-20(22)17-7-3-2-4-8-17/h2-14,20,22H,15H2,1H3/t20-,24?/m1/s1.
What are the key properties of (1R)-2-[2-(4-methylphenyl)sulfinylphenyl]-1-phenylethanol?
(1R)-2-[2-(4-methylphenyl)sulfinylphenyl]-1-phenylethanol has a molecular weight of 336.46 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[2-(4-methylphenyl)sulfinylphenyl]-1-phenylethanol is sourced from PubChem (CID 102211608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).