(3R,4R)-3-iodo-4-phenylmethoxyoxolane

C11H13IO2 — CID 165354577

IUPAC(3R,4R)-3-iodo-4-phenylmethoxyoxolane
SMILESI[C@@H]1COC[C@H]1OCc1ccccc1
InChIInChI=1S/C11H13IO2/c12-10-7-13-8-11(10)14-6-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11-/m1/s1
InChIKeyDWXLCGNVZUYQKU-GHMZBOCLSA-N
MW304.13 g/mol
LogP2.41
Rot. Bonds3

About (3R,4R)-3-iodo-4-phenylmethoxyoxolane

(3R,4R)-3-iodo-4-phenylmethoxyoxolane (PubChem CID 165354577) has the molecular formula C11H13IO2 and a molecular weight of 304.13 g/mol. Its IUPAC name is (3R,4R)-3-iodo-4-phenylmethoxyoxolane.

Molecular Properties

Compound Name(3R,4R)-3-iodo-4-phenylmethoxyoxolane
PubChem CID165354577
Molecular FormulaC11H13IO2
Molecular Weight304.13 g/mol
Exact Mass304.00
IUPAC Name(3R,4R)-3-iodo-4-phenylmethoxyoxolane
SMILESI[C@@H]1COC[C@H]1OCc1ccccc1
InChIInChI=1S/C11H13IO2/c12-10-7-13-8-11(10)14-6-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11-/m1/s1
InChIKeyDWXLCGNVZUYQKU-GHMZBOCLSA-N
XLogP2.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
LogP ≤ 52.41
H-Bond Donors ≤ 50
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

3-phenylmethoxyoxan-4-amine;hydrochloride
CID 154733293
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
(1S,2R,4S,5R)-2,4-bis(phenylmethoxy)-6-oxabicyclo[3.1.0]hexane
CID 15567135
azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene
CID 66809677
(2S,3R,4S,5R)-2-chloro-3,4,5-tris(phenylmethoxy)oxane
CID 129175845
(1S,2S,4R,5R)-2,4-bis(phenylmethoxy)-8-oxabicyclo[3.2.1]octane
CID 71725331
(1S,4R,5R,6R)-7,7-dichloro-4,5-bis(phenylmethoxy)-2-oxabicyclo[4.1.0]heptane
CID 10595861
(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine
CID 45361682
[(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene
CID 163224715
3,4,5-tris(phenylmethoxy)piperidine
CID 14642637
4-phenylmethoxyoxane
CID 66554133

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-iodo-4-phenylmethoxyoxolane?
The IUPAC name of (3R,4R)-3-iodo-4-phenylmethoxyoxolane (CID 165354577) is (3R,4R)-3-iodo-4-phenylmethoxyoxolane.
What is the SMILES notation for (3R,4R)-3-iodo-4-phenylmethoxyoxolane?
The canonical SMILES for (3R,4R)-3-iodo-4-phenylmethoxyoxolane is I[C@@H]1COC[C@H]1OCc1ccccc1.
What is the InChIKey of (3R,4R)-3-iodo-4-phenylmethoxyoxolane?
The InChIKey is DWXLCGNVZUYQKU-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H13IO2/c12-10-7-13-8-11(10)14-6-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11-/m1/s1.
What are the key properties of (3R,4R)-3-iodo-4-phenylmethoxyoxolane?
(3R,4R)-3-iodo-4-phenylmethoxyoxolane has a molecular weight of 304.13 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-iodo-4-phenylmethoxyoxolane is sourced from PubChem (CID 165354577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).