[(3R,5S)-4-iodo-5-phenyloxolan-3-yl]methanol

C11H13IO2 — CID 101367398

IUPAC[(3R,5S)-4-iodo-5-phenyloxolan-3-yl]methanol
SMILESOC[C@@H]1CO[C@@H](c2ccccc2)C1I
InChIInChI=1S/C11H13IO2/c12-10-9(6-13)7-14-11(10)8-4-2-1-3-5-8/h1-5,9-11,13H,6-7H2/t9-,10?,11+/m1/s1
InChIKeyXRBXRXQCGDCNJD-FBKFWFMHSA-N
MW304.13 g/mol
LogP2.17
Rot. Bonds2

About [(3R,5S)-4-iodo-5-phenyloxolan-3-yl]methanol

[(3R,5S)-4-iodo-5-phenyloxolan-3-yl]methanol (PubChem CID 101367398) has the molecular formula C11H13IO2 and a molecular weight of 304.13 g/mol. Its IUPAC name is [(3R,5S)-4-iodo-5-phenyloxolan-3-yl]methanol.

Molecular Properties

Compound Name[(3R,5S)-4-iodo-5-phenyloxolan-3-yl]methanol
PubChem CID101367398
Molecular FormulaC11H13IO2
Molecular Weight304.13 g/mol
Exact Mass304.00
IUPAC Name[(3R,5S)-4-iodo-5-phenyloxolan-3-yl]methanol
SMILESOC[C@@H]1CO[C@@H](c2ccccc2)C1I
InChIInChI=1S/C11H13IO2/c12-10-9(6-13)7-14-11(10)8-4-2-1-3-5-8/h1-5,9-11,13H,6-7H2/t9-,10?,11+/m1/s1
InChIKeyXRBXRXQCGDCNJD-FBKFWFMHSA-N
XLogP2.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-4-iodo-5-phenyloxolan-3-yl]methanol?
The IUPAC name of [(3R,5S)-4-iodo-5-phenyloxolan-3-yl]methanol (CID 101367398) is [(3R,5S)-4-iodo-5-phenyloxolan-3-yl]methanol.
What is the SMILES notation for [(3R,5S)-4-iodo-5-phenyloxolan-3-yl]methanol?
The canonical SMILES for [(3R,5S)-4-iodo-5-phenyloxolan-3-yl]methanol is OC[C@@H]1CO[C@@H](c2ccccc2)C1I.
What is the InChIKey of [(3R,5S)-4-iodo-5-phenyloxolan-3-yl]methanol?
The InChIKey is XRBXRXQCGDCNJD-FBKFWFMHSA-N. The full InChI is InChI=1S/C11H13IO2/c12-10-9(6-13)7-14-11(10)8-4-2-1-3-5-8/h1-5,9-11,13H,6-7H2/t9-,10?,11+/m1/s1.
What are the key properties of [(3R,5S)-4-iodo-5-phenyloxolan-3-yl]methanol?
[(3R,5S)-4-iodo-5-phenyloxolan-3-yl]methanol has a molecular weight of 304.13 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-4-iodo-5-phenyloxolan-3-yl]methanol is sourced from PubChem (CID 101367398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).