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

C15H16O2S — CID 13026509

IUPAC(1S)-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol
SMILESCc1ccc([S@](=O)C[C@@H](O)c2ccccc2)cc1
InChIInChI=1S/C15H16O2S/c1-12-7-9-14(10-8-12)18(17)11-15(16)13-5-3-2-4-6-13/h2-10,15-16H,11H2,1H3/t15-,18-/m1/s1
InChIKeyDBRYZXNIGDQKFP-CRAIPNDOSA-N
MW260.36 g/mol
LogP2.84
Rot. Bonds4

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

(1S)-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol (PubChem CID 13026509) has the molecular formula C15H16O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is (1S)-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol.

Molecular Properties

Compound Name(1S)-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol
PubChem CID13026509
Molecular FormulaC15H16O2S
Molecular Weight260.36 g/mol
Exact Mass260.09
IUPAC Name(1S)-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol
SMILESCc1ccc([S@](=O)C[C@@H](O)c2ccccc2)cc1
InChIInChI=1S/C15H16O2S/c1-12-7-9-14(10-8-12)18(17)11-15(16)13-5-3-2-4-6-13/h2-10,15-16H,11H2,1H3/t15-,18-/m1/s1
InChIKeyDBRYZXNIGDQKFP-CRAIPNDOSA-N
XLogP2.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol
CID 13026508
(1S)-1-(2-iodophenyl)-2-[(R)-(4-methylphenyl)sulfinyl]ethanol
CID 23251148
(2R)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol
CID 10932431
N-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylethanamine
CID 64658277
(1R)-2-[2-(4-methylphenyl)sulfinylphenyl]-1-phenylethanol
CID 102211608
(2S,3S)-2-methyl-1-(4-methylphenyl)sulfinyl-5-phenylpentan-3-ol
CID 101452810
(2R,3S)-1-bromo-4-(4-methylphenyl)sulfinylbutane-2,3-diol
CID 100945060
(2R)-1,1,1-trifluoro-3-(4-methylphenyl)sulfinylpropan-2-ol
CID 102096195
(2R)-1-(benzenesulfinyl)propan-2-ol
CID 101158828
(2S)-1-[(S)-phenylsulfinyl]propan-2-ol
CID 11206200
tert-butyl N-[(1R,2S)-2-hydroxy-3-(4-methylphenyl)sulfinyl-1-phenylpropyl]carbamate
CID 101080145
methyl 2-hydroxy-2-phenylethanesulfinate
CID 24972496

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol?
The IUPAC name of (1S)-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol (CID 13026509) is (1S)-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol.
What is the SMILES notation for (1S)-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol?
The canonical SMILES for (1S)-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol is Cc1ccc([S@](=O)C[C@@H](O)c2ccccc2)cc1.
What is the InChIKey of (1S)-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol?
The InChIKey is DBRYZXNIGDQKFP-CRAIPNDOSA-N. The full InChI is InChI=1S/C15H16O2S/c1-12-7-9-14(10-8-12)18(17)11-15(16)13-5-3-2-4-6-13/h2-10,15-16H,11H2,1H3/t15-,18-/m1/s1.
What are the key properties of (1S)-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol?
(1S)-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol has a molecular weight of 260.36 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol is sourced from PubChem (CID 13026509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).