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

C15H15IO2S — CID 23251148

IUPAC(1S)-1-(2-iodophenyl)-2-[(R)-(4-methylphenyl)sulfinyl]ethanol
SMILESCc1ccc([S@](=O)C[C@@H](O)c2ccccc2I)cc1
InChIInChI=1S/C15H15IO2S/c1-11-6-8-12(9-7-11)19(18)10-15(17)13-4-2-3-5-14(13)16/h2-9,15,17H,10H2,1H3/t15-,19-/m1/s1
InChIKeyNOZFMWRQFCQIQX-DNVCBOLYSA-N
MW386.25 g/mol
LogP3.44
Rot. Bonds4

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

(1S)-1-(2-iodophenyl)-2-[(R)-(4-methylphenyl)sulfinyl]ethanol (PubChem CID 23251148) has the molecular formula C15H15IO2S and a molecular weight of 386.25 g/mol. Its IUPAC name is (1S)-1-(2-iodophenyl)-2-[(R)-(4-methylphenyl)sulfinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-(2-iodophenyl)-2-[(R)-(4-methylphenyl)sulfinyl]ethanol
PubChem CID23251148
Molecular FormulaC15H15IO2S
Molecular Weight386.25 g/mol
Exact Mass385.98
IUPAC Name(1S)-1-(2-iodophenyl)-2-[(R)-(4-methylphenyl)sulfinyl]ethanol
SMILESCc1ccc([S@](=O)C[C@@H](O)c2ccccc2I)cc1
InChIInChI=1S/C15H15IO2S/c1-11-6-8-12(9-7-11)19(18)10-15(17)13-4-2-3-5-14(13)16/h2-9,15,17H,10H2,1H3/t15-,19-/m1/s1
InChIKeyNOZFMWRQFCQIQX-DNVCBOLYSA-N
XLogP3.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(1R)-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol
CID 13026508
(1S)-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol
CID 13026509
(2R)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol
CID 10932431
(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
2-amino-1-(2-iodophenyl)ethanol
CID 14059960
(2S,4R)-5-[(R)-(4-methylphenyl)sulfinyl]pentane-1,2,4-triol
CID 44545147
N-ethyl-1-(2-methylphenyl)-2-(4-methylphenyl)sulfinylethanamine
CID 64659648
(2S,3S)-2-methyl-1-(4-methylphenyl)sulfinyl-5-phenylpentan-3-ol
CID 101452810
1-(2-iodophenyl)-2-methoxyethanol
CID 115819112
1-(2,2-dimethoxyethylsulfinyl)-4-methylbenzene
CID 66220895
1-(4-methylphenyl)sulfinyl-3-(propan-2-ylamino)propan-2-ol
CID 115476871

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-iodophenyl)-2-[(R)-(4-methylphenyl)sulfinyl]ethanol?
The IUPAC name of (1S)-1-(2-iodophenyl)-2-[(R)-(4-methylphenyl)sulfinyl]ethanol (CID 23251148) is (1S)-1-(2-iodophenyl)-2-[(R)-(4-methylphenyl)sulfinyl]ethanol.
What is the SMILES notation for (1S)-1-(2-iodophenyl)-2-[(R)-(4-methylphenyl)sulfinyl]ethanol?
The canonical SMILES for (1S)-1-(2-iodophenyl)-2-[(R)-(4-methylphenyl)sulfinyl]ethanol is Cc1ccc([S@](=O)C[C@@H](O)c2ccccc2I)cc1.
What is the InChIKey of (1S)-1-(2-iodophenyl)-2-[(R)-(4-methylphenyl)sulfinyl]ethanol?
The InChIKey is NOZFMWRQFCQIQX-DNVCBOLYSA-N. The full InChI is InChI=1S/C15H15IO2S/c1-11-6-8-12(9-7-11)19(18)10-15(17)13-4-2-3-5-14(13)16/h2-9,15,17H,10H2,1H3/t15-,19-/m1/s1.
What are the key properties of (1S)-1-(2-iodophenyl)-2-[(R)-(4-methylphenyl)sulfinyl]ethanol?
(1S)-1-(2-iodophenyl)-2-[(R)-(4-methylphenyl)sulfinyl]ethanol has a molecular weight of 386.25 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-iodophenyl)-2-[(R)-(4-methylphenyl)sulfinyl]ethanol is sourced from PubChem (CID 23251148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).