(2R)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol

C10H14O2S — CID 10932431

IUPAC(2R)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol
SMILESCc1ccc([S@](=O)C[C@@H](C)O)cc1
InChIInChI=1S/C10H14O2S/c1-8-3-5-10(6-4-8)13(12)7-9(2)11/h3-6,9,11H,7H2,1-2H3/t9-,13-/m1/s1
InChIKeyNBKKIONKSZXVKW-NOZJJQNGSA-N
MW198.29 g/mol
LogP1.48
Rot. Bonds3

About (2R)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol

(2R)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol (PubChem CID 10932431) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is (2R)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol
PubChem CID10932431
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name(2R)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol
SMILESCc1ccc([S@](=O)C[C@@H](C)O)cc1
InChIInChI=1S/C10H14O2S/c1-8-3-5-10(6-4-8)13(12)7-9(2)11/h3-6,9,11H,7H2,1-2H3/t9-,13-/m1/s1
InChIKeyNBKKIONKSZXVKW-NOZJJQNGSA-N
XLogP1.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(benzenesulfinyl)propan-2-ol
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(2S)-1-[(S)-phenylsulfinyl]propan-2-ol
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(2R)-1,1,1-trifluoro-3-(4-methylphenyl)sulfinylpropan-2-ol
CID 102096195
1-(4-methylphenyl)sulfinyl-3-(propan-2-ylamino)propan-2-ol
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(1R)-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol
CID 13026508
(2S,4R)-5-[(R)-(4-methylphenyl)sulfinyl]pentane-1,2,4-triol
CID 44545147
(1S)-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol
CID 13026509
(2S,4R,5S)-1,5-bis[(4-methylphenyl)sulfinyl]hexane-2,4-diol
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1-(2,2-dimethoxyethylsulfinyl)-4-methylbenzene
CID 66220895
(2S,3S)-2-methyl-1-(4-methylphenyl)sulfinyl-5-phenylpentan-3-ol
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CID 102414482

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol?
The IUPAC name of (2R)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol (CID 10932431) is (2R)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol.
What is the SMILES notation for (2R)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol?
The canonical SMILES for (2R)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol is Cc1ccc([S@](=O)C[C@@H](C)O)cc1.
What is the InChIKey of (2R)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol?
The InChIKey is NBKKIONKSZXVKW-NOZJJQNGSA-N. The full InChI is InChI=1S/C10H14O2S/c1-8-3-5-10(6-4-8)13(12)7-9(2)11/h3-6,9,11H,7H2,1-2H3/t9-,13-/m1/s1.
What are the key properties of (2R)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol?
(2R)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol has a molecular weight of 198.29 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol is sourced from PubChem (CID 10932431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).