(2R,4S,6R)-2-(iodomethyl)-4,6-diphenyloxan-4-ol

C18H19IO2 — CID 46223813

IUPAC(2R,4S,6R)-2-(iodomethyl)-4,6-diphenyloxan-4-ol
SMILESO[C@]1(c2ccccc2)C[C@H](CI)O[C@@H](c2ccccc2)C1
InChIInChI=1S/C18H19IO2/c19-13-16-11-18(20,15-9-5-2-6-10-15)12-17(21-16)14-7-3-1-4-8-14/h1-10,16-17,20H,11-13H2/t16-,17-,18-/m1/s1
InChIKeyFEBJXRPOMPVXKN-KZNAEPCWSA-N
MW394.25 g/mol
LogP4.23
Rot. Bonds3

About (2R,4S,6R)-2-(iodomethyl)-4,6-diphenyloxan-4-ol

(2R,4S,6R)-2-(iodomethyl)-4,6-diphenyloxan-4-ol (PubChem CID 46223813) has the molecular formula C18H19IO2 and a molecular weight of 394.25 g/mol. Its IUPAC name is (2R,4S,6R)-2-(iodomethyl)-4,6-diphenyloxan-4-ol.

Molecular Properties

Compound Name(2R,4S,6R)-2-(iodomethyl)-4,6-diphenyloxan-4-ol
PubChem CID46223813
Molecular FormulaC18H19IO2
Molecular Weight394.25 g/mol
Exact Mass394.04
IUPAC Name(2R,4S,6R)-2-(iodomethyl)-4,6-diphenyloxan-4-ol
SMILESO[C@]1(c2ccccc2)C[C@H](CI)O[C@@H](c2ccccc2)C1
InChIInChI=1S/C18H19IO2/c19-13-16-11-18(20,15-9-5-2-6-10-15)12-17(21-16)14-7-3-1-4-8-14/h1-10,16-17,20H,11-13H2/t16-,17-,18-/m1/s1
InChIKeyFEBJXRPOMPVXKN-KZNAEPCWSA-N
XLogP4.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.25
LogP ≤ 54.23
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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Related Compounds

[(2S,4R,6R)-4-hydroxy-4,6-diphenyloxan-2-yl]methyl thiocyanate
CID 46224070
(2S,5S)-2-(iodomethyl)-5-phenyloxolane
CID 101241677
cis-(1R,2R)-1,2-diphenylcyclopropan-1-ol
CID 165358316
9-oxo-3-phenyl-9λ4-thiabicyclo[3.3.1]nonan-3-ol
CID 171951990
1-phenyl-3-phenylmethoxycyclobutan-1-ol
CID 135138338
(2S,5R)-2-ethyl-5-phenyloxolane
CID 102280065
(2S,5R)-2-(bromomethyl)-5-phenyloxolane
CID 23247977
(1R,5R)-8-(cyclopropylmethyl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol
CID 98113064
3-hexyl-1-phenylcyclobutan-1-ol
CID 10585684
(3R,5S)-3-methyl-3,5-diphenyldioxolane
CID 12643785
(2S,5R)-2-(cycloprop-2-en-1-ylmethyl)-5-phenyloxolane
CID 156851355
(2S,5R)-3a-methyl-2,5,6a-triphenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan
CID 23238357

Frequently Asked Questions

What is the IUPAC name of (2R,4S,6R)-2-(iodomethyl)-4,6-diphenyloxan-4-ol?
The IUPAC name of (2R,4S,6R)-2-(iodomethyl)-4,6-diphenyloxan-4-ol (CID 46223813) is (2R,4S,6R)-2-(iodomethyl)-4,6-diphenyloxan-4-ol.
What is the SMILES notation for (2R,4S,6R)-2-(iodomethyl)-4,6-diphenyloxan-4-ol?
The canonical SMILES for (2R,4S,6R)-2-(iodomethyl)-4,6-diphenyloxan-4-ol is O[C@]1(c2ccccc2)C[C@H](CI)O[C@@H](c2ccccc2)C1.
What is the InChIKey of (2R,4S,6R)-2-(iodomethyl)-4,6-diphenyloxan-4-ol?
The InChIKey is FEBJXRPOMPVXKN-KZNAEPCWSA-N. The full InChI is InChI=1S/C18H19IO2/c19-13-16-11-18(20,15-9-5-2-6-10-15)12-17(21-16)14-7-3-1-4-8-14/h1-10,16-17,20H,11-13H2/t16-,17-,18-/m1/s1.
What are the key properties of (2R,4S,6R)-2-(iodomethyl)-4,6-diphenyloxan-4-ol?
(2R,4S,6R)-2-(iodomethyl)-4,6-diphenyloxan-4-ol has a molecular weight of 394.25 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,6R)-2-(iodomethyl)-4,6-diphenyloxan-4-ol is sourced from PubChem (CID 46223813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).