(3R,4R,5R)-5-(iodomethyl)-4-phenylmethoxyoxolan-3-ol

C12H15IO3 — CID 10592798

IUPAC(3R,4R,5R)-5-(iodomethyl)-4-phenylmethoxyoxolan-3-ol
SMILESO[C@@H]1CO[C@@H](CI)[C@@H]1OCc1ccccc1
InChIInChI=1S/C12H15IO3/c13-6-11-12(10(14)8-15-11)16-7-9-4-2-1-3-5-9/h1-5,10-12,14H,6-8H2/t10-,11+,12-/m1/s1
InChIKeyVOPUDMIOENWQAT-GRYCIOLGSA-N
MW334.15 g/mol
LogP1.77
Rot. Bonds4

About (3R,4R,5R)-5-(iodomethyl)-4-phenylmethoxyoxolan-3-ol

(3R,4R,5R)-5-(iodomethyl)-4-phenylmethoxyoxolan-3-ol (PubChem CID 10592798) has the molecular formula C12H15IO3 and a molecular weight of 334.15 g/mol. Its IUPAC name is (3R,4R,5R)-5-(iodomethyl)-4-phenylmethoxyoxolan-3-ol.

Molecular Properties

Compound Name(3R,4R,5R)-5-(iodomethyl)-4-phenylmethoxyoxolan-3-ol
PubChem CID10592798
Molecular FormulaC12H15IO3
Molecular Weight334.15 g/mol
Exact Mass334.01
IUPAC Name(3R,4R,5R)-5-(iodomethyl)-4-phenylmethoxyoxolan-3-ol
SMILESO[C@@H]1CO[C@@H](CI)[C@@H]1OCc1ccccc1
InChIInChI=1S/C12H15IO3/c13-6-11-12(10(14)8-15-11)16-7-9-4-2-1-3-5-9/h1-5,10-12,14H,6-8H2/t10-,11+,12-/m1/s1
InChIKeyVOPUDMIOENWQAT-GRYCIOLGSA-N
XLogP1.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.15
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S,5R,6S)-5,6-dimethyl-4-phenylmethoxyoxan-3-ol
CID 122658990
3-phenylmethoxyoxane-2,4,5-triol
CID 19602254
1-(4-fluorophenyl)-2-[(2S,3R,4R)-4-hydroxy-3-phenylmethoxyoxolan-2-yl]ethanone
CID 134930647
[(3S)-5-amino-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
CID 163725774
(3R,4S,5S)-5-[12-[(2S,3S,4R)-4-hydroxy-3-phenylmethoxyoxolan-2-yl]dodeca-1,3,5,7,9,11-hexaynyl]-4-phenylmethoxyoxolan-3-ol
CID 56600059
(2R,3S,4R,5S)-2-phenylmethoxyoxane-3,4,5-triol
CID 11564962
(2R,3R,4S,5S)-2-phenylmethoxyoxane-3,4,5-triol
CID 11253449
(1R,4R,5R,6S,7R)-6,7-bis(phenylmethoxy)-2,8-dioxabicyclo[3.2.1]octan-4-ol
CID 10947855
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(3R,4R,5R,7Z)-4,5-bis(phenylmethoxy)-3,4,5,6-tetrahydro-2H-oxocin-3-ol
CID 101457735
(2R,3R,4R)-2-(hydroxymethyl)-3-phenylmethoxyoxan-4-ol
CID 54189960
(2R,3R,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxolane
CID 122363520

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-5-(iodomethyl)-4-phenylmethoxyoxolan-3-ol?
The IUPAC name of (3R,4R,5R)-5-(iodomethyl)-4-phenylmethoxyoxolan-3-ol (CID 10592798) is (3R,4R,5R)-5-(iodomethyl)-4-phenylmethoxyoxolan-3-ol.
What is the SMILES notation for (3R,4R,5R)-5-(iodomethyl)-4-phenylmethoxyoxolan-3-ol?
The canonical SMILES for (3R,4R,5R)-5-(iodomethyl)-4-phenylmethoxyoxolan-3-ol is O[C@@H]1CO[C@@H](CI)[C@@H]1OCc1ccccc1.
What is the InChIKey of (3R,4R,5R)-5-(iodomethyl)-4-phenylmethoxyoxolan-3-ol?
The InChIKey is VOPUDMIOENWQAT-GRYCIOLGSA-N. The full InChI is InChI=1S/C12H15IO3/c13-6-11-12(10(14)8-15-11)16-7-9-4-2-1-3-5-9/h1-5,10-12,14H,6-8H2/t10-,11+,12-/m1/s1.
What are the key properties of (3R,4R,5R)-5-(iodomethyl)-4-phenylmethoxyoxolan-3-ol?
(3R,4R,5R)-5-(iodomethyl)-4-phenylmethoxyoxolan-3-ol has a molecular weight of 334.15 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-5-(iodomethyl)-4-phenylmethoxyoxolan-3-ol is sourced from PubChem (CID 10592798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).